2-chloro-N-(4-phenyldiazenylphenyl)benzamide

C19H14ClN3O — CID 3800362

IUPAC2-chloro-N-(4-phenyldiazenylphenyl)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/c20-18-9-5-4-8-17(18)19(24)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-13H,(H,21,24)/b23-22+
InChIKeyRXSBSLQMSAZXBX-GHVJWSGMSA-N
MW335.79 g/mol
LogP6.01
Rot. Bonds4

About 2-chloro-N-(4-phenyldiazenylphenyl)benzamide

2-chloro-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 3800362) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-chloro-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID3800362
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name2-chloro-N-(4-phenyldiazenylphenyl)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/c20-18-9-5-4-8-17(18)19(24)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-13H,(H,21,24)/b23-22+
InChIKeyRXSBSLQMSAZXBX-GHVJWSGMSA-N
XLogP6.01
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
4'-Bromo-2-chlorobenzanilide
CID 221829
3'-Chloro-M-toluanilide
CID 531963
Benzamide, N-(4-aminophenyl)-
CID 87196
Benzamide, N-(1-naphthyl)-2-chloro-
CID 531848
N-(4-anilinophenyl)benzamide
CID 681265
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
2,2'-Dichlorobenzanilide
CID 221407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-phenyldiazenylphenyl)benzamide (CID 3800362) is 2-chloro-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-phenyldiazenylphenyl)benzamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is RXSBSLQMSAZXBX-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-18-9-5-4-8-17(18)19(24)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-13H,(H,21,24)/b23-22+.
What are the key properties of 2-chloro-N-(4-phenyldiazenylphenyl)benzamide?
2-chloro-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 335.79 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 3800362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).