3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide

C20H22F2N2O2 — CID 131929456

IUPAC3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c1-13(2)12-23-20(26)15-4-3-5-16(11-15)24-19(25)9-7-14-6-8-17(21)18(22)10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPDGKWARNCUMGTM-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.92
Rot. Bonds7

About 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide

3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 131929456) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID131929456
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H22F2N2O2/c1-13(2)12-23-20(26)15-4-3-5-16(11-15)24-19(25)9-7-14-6-8-17(21)18(22)10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPDGKWARNCUMGTM-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide (CID 131929456) is 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is PDGKWARNCUMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(2)12-23-20(26)15-4-3-5-16(11-15)24-19(25)9-7-14-6-8-17(21)18(22)10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide?
3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 131929456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).