2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide

C20H15ClN2O — CID 693562

IUPAC2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O/c21-16-12-10-15(11-13-16)14-22-19-9-5-4-8-18(19)20(24)23-17-6-2-1-3-7-17/h1-14H,(H,23,24)/b22-14+
InChIKeyNLSCTDHBTGEIAR-HYARGMPZSA-N
MW334.81 g/mol
LogP5.34
Rot. Bonds4

About 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide

2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide (PubChem CID 693562) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
PubChem CID693562
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O/c21-16-12-10-15(11-13-16)14-22-19-9-5-4-8-18(19)20(24)23-17-6-2-1-3-7-17/h1-14H,(H,23,24)/b22-14+
InChIKeyNLSCTDHBTGEIAR-HYARGMPZSA-N
XLogP5.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)ethenyl]-N-phenylbenzamide
CID 154711016
CID 164666940
CID 164666940
2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
CID 71624582
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624111
1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
CID 10108132
2-(benzylideneamino)benzamide
CID 794805
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
CID 10854741
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide (CID 693562) is 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide?
The InChIKey is NLSCTDHBTGEIAR-HYARGMPZSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-16-12-10-15(11-13-16)14-22-19-9-5-4-8-18(19)20(24)23-17-6-2-1-3-7-17/h1-14H,(H,23,24)/b22-14+.
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide?
2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide has a molecular weight of 334.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 693562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).