(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide

C17H16ClN3O — CID 7509535

IUPAC(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C17H16ClN3O/c1-11-6-7-15(9-16(11)18)20-12(2)17(22)21-14-5-3-4-13(8-14)10-19/h3-9,12,20H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyYTDVIBCLISOTAR-GFCCVEGCSA-N
MW313.79 g/mol
LogP3.96
Rot. Bonds4

About (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide

(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide (PubChem CID 7509535) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
PubChem CID7509535
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C17H16ClN3O/c1-11-6-7-15(9-16(11)18)20-12(2)17(22)21-14-5-3-4-13(8-14)10-19/h3-9,12,20H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyYTDVIBCLISOTAR-GFCCVEGCSA-N
XLogP3.96
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide
CID 121264147
(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide (CID 7509535) is (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide is Cc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide?
The InChIKey is YTDVIBCLISOTAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-6-7-15(9-16(11)18)20-12(2)17(22)21-14-5-3-4-13(8-14)10-19/h3-9,12,20H,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide?
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide has a molecular weight of 313.79 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 7509535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).