2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

C18H18ClF3N2O2 — CID 55672094

IUPAC2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-11(26-16-7-5-4-6-14(16)19)17(25)23-15-9-8-12(24(2)3)10-13(15)18(20,21)22/h4-11H,1-3H3,(H,23,25)
InChIKeyFEEFHDHPQSUYIE-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.83
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55672094) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID55672094
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-11(26-16-7-5-4-6-14(16)19)17(25)23-15-9-8-12(24(2)3)10-13(15)18(20,21)22/h4-11H,1-3H3,(H,23,25)
InChIKeyFEEFHDHPQSUYIE-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 55583461
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 1019961
3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55864931
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24507754

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (CID 55672094) is 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FEEFHDHPQSUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-11(26-16-7-5-4-6-14(16)19)17(25)23-15-9-8-12(24(2)3)10-13(15)18(20,21)22/h4-11H,1-3H3,(H,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 386.80 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55672094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).