N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide

C16H14ClN3O — CID 26438582

IUPACN-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
SMILESN#Cc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN3O/c17-14-6-4-12(5-7-14)10-20-16(21)11-19-15-3-1-2-13(8-15)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyZZMMISSCHAKTNZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide (PubChem CID 26438582) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
PubChem CID26438582
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
SMILESN#Cc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN3O/c17-14-6-4-12(5-7-14)10-20-16(21)11-19-15-3-1-2-13(8-15)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyZZMMISSCHAKTNZ-UHFFFAOYSA-N
XLogP2.94
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
3-[(4-chlorophenyl)methylamino]-N-(3-cyanophenyl)propanamide
CID 109021937
N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814822
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide (CID 26438582) is N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide is N#Cc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide?
The InChIKey is ZZMMISSCHAKTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-6-4-12(5-7-14)10-20-16(21)11-19-15-3-1-2-13(8-15)9-18/h1-8,19H,10-11H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide has a molecular weight of 299.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide is sourced from PubChem (CID 26438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).