2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide

C16H13ClN4O — CID 967968

IUPAC2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
SMILESN#Cc1ccc(C=NNC(=O)CNc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-14-3-1-2-4-15(14)19-11-16(22)21-20-10-13-7-5-12(9-18)6-8-13/h1-8,10,19H,11H2,(H,21,22)
InChIKeyNAIJLMUJWKEYIJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide

2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide (PubChem CID 967968) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
PubChem CID967968
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
SMILESN#Cc1ccc(C=NNC(=O)CNc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-14-3-1-2-4-15(14)19-11-16(22)21-20-10-13-7-5-12(9-18)6-8-13/h1-8,10,19H,11H2,(H,21,22)
InChIKeyNAIJLMUJWKEYIJ-UHFFFAOYSA-N
XLogP2.77
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136649492
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 6044882
N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
CID 3974770
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide (CID 967968) is 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide is N#Cc1ccc(C=NNC(=O)CNc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide?
The InChIKey is NAIJLMUJWKEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-3-1-2-4-15(14)19-11-16(22)21-20-10-13-7-5-12(9-18)6-8-13/h1-8,10,19H,11H2,(H,21,22).
What are the key properties of 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide has a molecular weight of 312.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide is sourced from PubChem (CID 967968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).