N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide

C19H13Cl2N3O4 — CID 4227337

IUPACN-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H13Cl2N3O4/c1-10-14(21)3-2-4-15(10)23-18(26)19(27)24-22-8-11-9-28-16-6-5-12(20)7-13(16)17(11)25/h2-9H,1H3,(H,23,26)(H,24,27)
InChIKeyKTRAPOPKRYFRIZ-UHFFFAOYSA-N
MW418.24 g/mol
LogP3.50
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide (PubChem CID 4227337) has the molecular formula C19H13Cl2N3O4 and a molecular weight of 418.24 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
PubChem CID4227337
Molecular FormulaC19H13Cl2N3O4
Molecular Weight418.24 g/mol
Exact Mass417.03
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H13Cl2N3O4/c1-10-14(21)3-2-4-15(10)23-18(26)19(27)24-22-8-11-9-28-16-6-5-12(20)7-13(16)17(11)25/h2-9H,1H3,(H,23,26)(H,24,27)
InChIKeyKTRAPOPKRYFRIZ-UHFFFAOYSA-N
XLogP3.50
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 4248210
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
2-amino-N-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-3-methylbutanamide
CID 4585020
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
CID 4563866
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
3,4-dichloro-N-[2-[2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3278227
[4-[(Z)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6164888
[4-bromo-2-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 45055255

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide (CID 4227337) is N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide?
The InChIKey is KTRAPOPKRYFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4/c1-10-14(21)3-2-4-15(10)23-18(26)19(27)24-22-8-11-9-28-16-6-5-12(20)7-13(16)17(11)25/h2-9H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide has a molecular weight of 418.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide is sourced from PubChem (CID 4227337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).