N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

C109H106BrClF19IN6O12 — CID 159680715

IUPACN-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Br)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(I)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2.C18H17BrF3NO2.C18H17ClF3NO2.C18H17F4NO2.C18H17F3INO2.C18H18F3NO2/c1-4-18(24)23-16-7-5-6-13(3)14(16)11-25-17-9-8-12(2)10-15(17)19(20,21)22;3*1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22;1-3-17(24)23-15-6-4-5-14(22)12(15)10-25-16-8-7-11(2)9-13(16)18(19,20)21;1-3-17(23)22-15-7-5-4-6-13(15)11-24-16-9-8-12(2)10-14(16)18(19,20)21/h5-10H,4,11H2,1-3H3,(H,23,24);4*4-9H,3,10H2,1-2H3,(H,23,24);4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyMVEFGKAZOJUGCB-UHFFFAOYSA-N
MW2295.30 g/mol
LogP32.12
Rot. Bonds30

About N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (PubChem CID 159680715) has the molecular formula C109H106BrClF19IN6O12 and a molecular weight of 2295.30 g/mol. Its IUPAC name is N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
PubChem CID159680715
Molecular FormulaC109H106BrClF19IN6O12
Molecular Weight2295.30 g/mol
Exact Mass2292.55
IUPAC NameN-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Br)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(I)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2.C18H17BrF3NO2.C18H17ClF3NO2.C18H17F4NO2.C18H17F3INO2.C18H18F3NO2/c1-4-18(24)23-16-7-5-6-13(3)14(16)11-25-17-9-8-12(2)10-15(17)19(20,21)22;3*1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22;1-3-17(24)23-15-6-4-5-14(22)12(15)10-25-16-8-7-11(2)9-13(16)18(19,20)21;1-3-17(23)22-15-7-5-4-6-13(15)11-24-16-9-8-12(2)10-14(16)18(19,20)21/h5-10H,4,11H2,1-3H3,(H,23,24);4*4-9H,3,10H2,1-2H3,(H,23,24);4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyMVEFGKAZOJUGCB-UHFFFAOYSA-N
XLogP32.12
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002295.30
LogP ≤ 532.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide with MolForge

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Related Compounds

methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 159792954
methyl N-[3-bromo-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate
CID 161466064
methyl N-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 158986536
N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 129038628
S-methyl N-[3-bromo-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate;S-methyl N-[3-chloro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate;S-methyl N-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]-3-iodophenyl]carbamothioate;S-methyl N-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]-3-methylphenyl]carbamothioate;S-methyl N-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate;S-methyl N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 157491314
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038342
[3-bromo-2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate;[3-chloro-2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-fluorophenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-iodophenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-methylphenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate
CID 160505119
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
CID 129038323
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (CID 159680715) is N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1cccc(Br)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1cccc(I)c1COc1ccc(C)cc1C(F)(F)F.CCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F.
What is the InChIKey of N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The InChIKey is MVEFGKAZOJUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2.C18H17BrF3NO2.C18H17ClF3NO2.C18H17F4NO2.C18H17F3INO2.C18H18F3NO2/c1-4-18(24)23-16-7-5-6-13(3)14(16)11-25-17-9-8-12(2)10-15(17)19(20,21)22;3*1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22;1-3-17(24)23-15-6-4-5-14(22)12(15)10-25-16-8-7-11(2)9-13(16)18(19,20)21;1-3-17(23)22-15-7-5-4-6-13(15)11-24-16-9-8-12(2)10-14(16)18(19,20)21/h5-10H,4,11H2,1-3H3,(H,23,24);4*4-9H,3,10H2,1-2H3,(H,23,24);4-10H,3,11H2,1-2H3,(H,22,23).
What are the key properties of N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide has a molecular weight of 2295.30 g/mol, XLogP of 32.12, 30 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 159680715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).