(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide

C15H12ClN5O — CID 177438425

IUPAC(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide
SMILESN#Cc1ccccc1N/N=C(\N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-11-6-2-4-8-13(11)19-15(22)14(18)21-20-12-7-3-1-5-10(12)9-17/h1-8,20H,(H2,18,21)(H,19,22)
InChIKeyPHYIPQHYTVJPGJ-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.53
Rot. Bonds3

About (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide

(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide (PubChem CID 177438425) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide
PubChem CID177438425
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide
SMILESN#Cc1ccccc1N/N=C(\N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-11-6-2-4-8-13(11)19-15(22)14(18)21-20-12-7-3-1-5-10(12)9-17/h1-8,20H,(H2,18,21)(H,19,22)
InChIKeyPHYIPQHYTVJPGJ-UHFFFAOYSA-N
XLogP2.53
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 109150947
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CID 13155570
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
CID 54683944
2-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108824482
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
5-(3-chloro-2-pyridinyl)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 59672679

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide?
The IUPAC name of (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide (CID 177438425) is (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide.
What is the SMILES notation for (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide?
The canonical SMILES for (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide is N#Cc1ccccc1N/N=C(\N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide?
The InChIKey is PHYIPQHYTVJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-6-2-4-8-13(11)19-15(22)14(18)21-20-12-7-3-1-5-10(12)9-17/h1-8,20H,(H2,18,21)(H,19,22).
What are the key properties of (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide?
(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide has a molecular weight of 313.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide is sourced from PubChem (CID 177438425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).