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

C25H23ClN4O5 — CID 4248210

IUPACN'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H23ClN4O5/c26-16-10-11-21-19(12-16)22(31)15(14-35-21)13-27-30-25(34)24(33)29-20-9-5-4-8-18(20)23(32)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,34)
InChIKeyUCQANCZNBYXBBZ-UHFFFAOYSA-N
MW494.94 g/mol
LogP3.60
Rot. Bonds5

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

N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (PubChem CID 4248210) has the molecular formula C25H23ClN4O5 and a molecular weight of 494.94 g/mol. Its IUPAC name is N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
PubChem CID4248210
Molecular FormulaC25H23ClN4O5
Molecular Weight494.94 g/mol
Exact Mass494.14
IUPAC NameN'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H23ClN4O5/c26-16-10-11-21-19(12-16)22(31)15(14-35-21)13-27-30-25(34)24(33)29-20-9-5-4-8-18(20)23(32)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,34)
InChIKeyUCQANCZNBYXBBZ-UHFFFAOYSA-N
XLogP3.60
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 3571504
N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
CID 4227337
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 4207988
[3-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4057030
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 3520611
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 3528180
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 4225711
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 5211946
N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
CID 4563866

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (CID 4248210) is N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is O=C(NN=Cc1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The InChIKey is UCQANCZNBYXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O5/c26-16-10-11-21-19(12-16)22(31)15(14-35-21)13-27-30-25(34)24(33)29-20-9-5-4-8-18(20)23(32)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,34).
What are the key properties of N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide has a molecular weight of 494.94 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 4248210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).