N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide

C15H18ClN3O2 — CID 2844400

IUPACN-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-8-6-11(7-9-12)10-17-14(20)15(21)19-18-13-4-2-1-3-5-13/h6-9H,1-5,10H2,(H,17,20)(H,19,21)
InChIKeyNNSPAILBZJIBDE-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.39
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide

N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide (PubChem CID 2844400) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide
PubChem CID2844400
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-8-6-11(7-9-12)10-17-14(20)15(21)19-18-13-4-2-1-3-5-13/h6-9H,1-5,10H2,(H,17,20)(H,19,21)
InChIKeyNNSPAILBZJIBDE-UHFFFAOYSA-N
XLogP2.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
CID 722531
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
CID 780477
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
CID 9121559
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 43316414
N'-(cyclododecylideneamino)-N-(oxolan-2-ylmethyl)oxamide
CID 21211624
2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
CID 3584693
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide (CID 2844400) is N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide?
The InChIKey is NNSPAILBZJIBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-8-6-11(7-9-12)10-17-14(20)15(21)19-18-13-4-2-1-3-5-13/h6-9H,1-5,10H2,(H,17,20)(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide has a molecular weight of 307.78 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide is sourced from PubChem (CID 2844400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).