3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide

C17H18F2N2O3 — CID 109040581

IUPAC3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-23-15-6-4-12(10-16(15)24-2)21-17(22)7-8-20-11-3-5-13(18)14(19)9-11/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyZTWCSYWMDDZJHI-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.42
Rot. Bonds7

About 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide

3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109040581) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109040581
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-23-15-6-4-12(10-16(15)24-2)21-17(22)7-8-20-11-3-5-13(18)14(19)9-11/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyZTWCSYWMDDZJHI-UHFFFAOYSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide (CID 109040581) is 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ZTWCSYWMDDZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-23-15-6-4-12(10-16(15)24-2)21-17(22)7-8-20-11-3-5-13(18)14(19)9-11/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide?
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 336.34 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109040581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).