2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide

C15H20ClN3O — CID 5427861

IUPAC2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)CNc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O/c1-11-5-4-6-12(9-11)18-19-15(20)10-17-14-8-3-2-7-13(14)16/h2-3,7-8,11,17H,4-6,9-10H2,1H3,(H,19,20)/b18-12-/t11-/m0/s1
InChIKeyGEQGIEHZGYZSHC-YXQUIRMVSA-N
MW293.80 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide

2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide (PubChem CID 5427861) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
PubChem CID5427861
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)CNc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O/c1-11-5-4-6-12(9-11)18-19-15(20)10-17-14-8-3-2-7-13(14)16/h2-3,7-8,11,17H,4-6,9-10H2,1H3,(H,19,20)/b18-12-/t11-/m0/s1
InChIKeyGEQGIEHZGYZSHC-YXQUIRMVSA-N
XLogP3.43
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide 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

2-(3-chloro-2-methylanilino)-N-[(3-methylcyclohexylidene)amino]acetamide
CID 4627316
2-(3-chloro-2-methylanilino)-N-[[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 968286
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]butanediamide
CID 5427907
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
CID 6530772
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide (CID 5427861) is 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide is C[C@H]1CCC/C(=N/NC(=O)CNc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
The InChIKey is GEQGIEHZGYZSHC-YXQUIRMVSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-5-4-6-12(9-11)18-19-15(20)10-17-14-8-3-2-7-13(14)16/h2-3,7-8,11,17H,4-6,9-10H2,1H3,(H,19,20)/b18-12-/t11-/m0/s1.
What are the key properties of 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide?
2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide has a molecular weight of 293.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 5427861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).