3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide

C16H12F2N2O — CID 41484985

IUPAC3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H12F2N2O/c17-13-6-7-14(18)15(9-13)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21)
InChIKeyKOXDOSVVJIENCD-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.41
Rot. Bonds4

About 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide

3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide (PubChem CID 41484985) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
PubChem CID41484985
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H12F2N2O/c17-13-6-7-14(18)15(9-13)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21)
InChIKeyKOXDOSVVJIENCD-UHFFFAOYSA-N
XLogP3.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide
CID 23296537
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide (CID 41484985) is 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide is N#Cc1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide?
The InChIKey is KOXDOSVVJIENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-13-6-7-14(18)15(9-13)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21).
What are the key properties of 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide?
3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide has a molecular weight of 286.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 41484985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).