N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide

C16H16F2N2O2 — CID 109039452

IUPACN-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-22-15-5-3-2-4-14(15)19-9-8-16(21)20-13-7-6-11(17)10-12(13)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyNULJVBNRWFVRBM-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.41
Rot. Bonds6

About N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide

N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide (PubChem CID 109039452) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
PubChem CID109039452
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-22-15-5-3-2-4-14(15)19-9-8-16(21)20-13-7-6-11(17)10-12(13)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyNULJVBNRWFVRBM-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
N-(4-fluoro-2-methoxyphenyl)-3-(2-nitroanilino)propanamide
CID 86926664
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide (CID 109039452) is N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide is COc1ccccc1NCCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide?
The InChIKey is NULJVBNRWFVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-22-15-5-3-2-4-14(15)19-9-8-16(21)20-13-7-6-11(17)10-12(13)18/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide?
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide has a molecular weight of 306.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide is sourced from PubChem (CID 109039452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).