2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide

C15H19ClN2O — CID 3378905

IUPAC2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-
InChIKeyRZPVGWIEFFZKDF-ATVHPVEESA-N
MW278.78 g/mol
LogP4.03
Rot. Bonds3

About 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide

2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide (PubChem CID 3378905) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
PubChem CID3378905
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-
InChIKeyRZPVGWIEFFZKDF-ATVHPVEESA-N
XLogP4.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide 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-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 5062315
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 4080712
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4108125
2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 579792
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The IUPAC name of 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide (CID 3378905) is 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The canonical SMILES for 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide is CCC1CCC(=NNC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The InChIKey is RZPVGWIEFFZKDF-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-.
What are the key properties of 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide has a molecular weight of 278.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 3378905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).