N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide

C23H16N2O3 — CID 18284060

IUPACN-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H16N2O3/c26-22(19-15-18-13-7-8-14-20(18)28-23(19)27)25-24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H,(H,25,26)
InChIKeyZWRVDLWKAZOWRH-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.98
Rot. Bonds4

About N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide

N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide (PubChem CID 18284060) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
PubChem CID18284060
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC NameN-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H16N2O3/c26-22(19-15-18-13-7-8-14-20(18)28-23(19)27)25-24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H,(H,25,26)
InChIKeyZWRVDLWKAZOWRH-UHFFFAOYSA-N
XLogP3.98
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
CID 135517452
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide
CID 162648301
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
2-oxochromene-3-carboxylic acid
CID 161011590
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 137242181
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide (CID 18284060) is N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide is O=C(NN=C(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide?
The InChIKey is ZWRVDLWKAZOWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-22(19-15-18-13-7-8-14-20(18)28-23(19)27)25-24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H,(H,25,26).
What are the key properties of N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide?
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 18284060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).