N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide

C23H15ClN4O3 — CID 135517452

IUPACN-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C(\N=N\c1ccc(Cl)cc1)c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15ClN4O3/c24-17-10-12-18(13-11-17)25-26-21(15-6-2-1-3-7-15)27-28-22(29)19-14-16-8-4-5-9-20(16)31-23(19)30/h1-14H,(H,28,29)/b26-25+,27-21-
InChIKeyULOUIGDQFCWCJE-IYTOZPSBSA-N
MW430.85 g/mol
LogP5.32
Rot. Bonds4

About N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide

N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide (PubChem CID 135517452) has the molecular formula C23H15ClN4O3 and a molecular weight of 430.85 g/mol. Its IUPAC name is N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
PubChem CID135517452
Molecular FormulaC23H15ClN4O3
Molecular Weight430.85 g/mol
Exact Mass430.08
IUPAC NameN-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C(\N=N\c1ccc(Cl)cc1)c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15ClN4O3/c24-17-10-12-18(13-11-17)25-26-21(15-6-2-1-3-7-15)27-28-22(29)19-14-16-8-4-5-9-20(16)31-23(19)30/h1-14H,(H,28,29)/b26-25+,27-21-
InChIKeyULOUIGDQFCWCJE-IYTOZPSBSA-N
XLogP5.32
TPSA96.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.85
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide
CID 135487999
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium
CID 4099001
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide
CID 162648301
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-oxochromene-3-carboxylate
CID 3766105
2-oxochromene-3-carboxylic acid
CID 161011590
3-[(2S,3R)-3-(4-chlorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11198188
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide (CID 135517452) is N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide is O=C(N/N=C(\N=N\c1ccc(Cl)cc1)c1ccccc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide?
The InChIKey is ULOUIGDQFCWCJE-IYTOZPSBSA-N. The full InChI is InChI=1S/C23H15ClN4O3/c24-17-10-12-18(13-11-17)25-26-21(15-6-2-1-3-7-15)27-28-22(29)19-14-16-8-4-5-9-20(16)31-23(19)30/h1-14H,(H,28,29)/b26-25+,27-21-.
What are the key properties of N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide?
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 135517452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).