N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide

C16H14ClN3O — CID 107804329

IUPACN-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeySHHMQUFSSSNXDZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.57
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide

N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide (PubChem CID 107804329) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
PubChem CID107804329
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeySHHMQUFSSSNXDZ-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
CID 107804495
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
N-(3-chlorophenyl)-N'-(2-cyanophenyl)propanediamide
CID 108955002
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide (CID 107804329) is N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2cccc(Cl)c2)c1C#N.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide?
The InChIKey is SHHMQUFSSSNXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-4-2-7-15(14(11)9-18)19-10-16(21)20-13-6-3-5-12(17)8-13/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide?
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide is sourced from PubChem (CID 107804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).