N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide

C22H23ClN4O3 — CID 3571504

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H23ClN4O3/c23-16-12-10-15(11-13-16)14-24-27-22(30)21(29)26-19-9-5-4-8-18(19)20(28)25-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWXYBNFMONNROBZ-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.49
Rot. Bonds5

About N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide

N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (PubChem CID 3571504) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
PubChem CID3571504
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H23ClN4O3/c23-16-12-10-15(11-13-16)14-24-27-22(30)21(29)26-19-9-5-4-8-18(19)20(28)25-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWXYBNFMONNROBZ-UHFFFAOYSA-N
XLogP3.49
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 4225711
[3-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4057030
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 4207988
[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]phenyl] 3-bromobenzoate
CID 5211946
N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 4248210
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 3520611
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (CID 3571504) is N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is O=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The InChIKey is WXYBNFMONNROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-16-12-10-15(11-13-16)14-24-27-22(30)21(29)26-19-9-5-4-8-18(19)20(28)25-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide has a molecular weight of 426.90 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 3571504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).