N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide

C18H19F2NO2 — CID 129038618

IUPACN-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1F
InChIInChI=1S/C18H19F2NO2/c1-4-18(22)21-16-7-5-6-14(19)13(16)10-23-17-9-12(3)11(2)8-15(17)20/h5-9H,4,10H2,1-3H3,(H,21,22)
InChIKeyUSRBXZKXPPFTDX-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.51
Rot. Bonds5

About N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide

N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide (PubChem CID 129038618) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
PubChem CID129038618
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1F
InChIInChI=1S/C18H19F2NO2/c1-4-18(22)21-16-7-5-6-14(19)13(16)10-23-17-9-12(3)11(2)8-15(17)20/h5-9H,4,10H2,1-3H3,(H,21,22)
InChIKeyUSRBXZKXPPFTDX-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 129038628
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
CID 129038789
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126587851
[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645685

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide (CID 129038618) is N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1F.
What is the InChIKey of N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide?
The InChIKey is USRBXZKXPPFTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-4-18(22)21-16-7-5-6-14(19)13(16)10-23-17-9-12(3)11(2)8-15(17)20/h5-9H,4,10H2,1-3H3,(H,21,22).
What are the key properties of N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide?
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide has a molecular weight of 319.35 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 129038618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).