3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide

C17H15FN2O — CID 41486884

IUPAC3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15FN2O/c1-12-2-8-15(18)16(10-12)20-17(21)9-7-13-3-5-14(11-19)6-4-13/h2-6,8,10H,7,9H2,1H3,(H,20,21)
InChIKeyFTDQDYJCSRQPPJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.58
Rot. Bonds4

About 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide

3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 41486884) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID41486884
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15FN2O/c1-12-2-8-15(18)16(10-12)20-17(21)9-7-13-3-5-14(11-19)6-4-13/h2-6,8,10H,7,9H2,1H3,(H,20,21)
InChIKeyFTDQDYJCSRQPPJ-UHFFFAOYSA-N
XLogP3.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide (CID 41486884) is 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide is Cc1ccc(F)c(NC(=O)CCc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is FTDQDYJCSRQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-2-8-15(18)16(10-12)20-17(21)9-7-13-3-5-14(11-19)6-4-13/h2-6,8,10H,7,9H2,1H3,(H,20,21).
What are the key properties of 3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 282.32 g/mol, XLogP of 3.58, 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-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 41486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).