N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide

C15H18ClN3O2 — CID 19659906

IUPACN-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide
SMILESO=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c16-12-9-5-6-10-13(12)17-14(20)15(21)19-18-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2,(H,17,20)(H,19,21)
InChIKeyJLHJAALPEGREES-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.10
Rot. Bonds2

About N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide

N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide (PubChem CID 19659906) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide
PubChem CID19659906
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide
SMILESO=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c16-12-9-5-6-10-13(12)17-14(20)15(21)19-18-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2,(H,17,20)(H,19,21)
InChIKeyJLHJAALPEGREES-UHFFFAOYSA-N
XLogP3.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.10
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'}

Analyze N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
CID 4677008
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
N-(cyclododecylideneamino)benzamide
CID 4147051
N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 4668283
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881828
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
[2-[(E)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19661185
N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846586
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide (CID 19659906) is N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide is O=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide?
The InChIKey is JLHJAALPEGREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-9-5-6-10-13(12)17-14(20)15(21)19-18-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2,(H,17,20)(H,19,21).
What are the key properties of N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide?
N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide has a molecular weight of 307.78 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide is sourced from PubChem (CID 19659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).