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

C15H19ClN2O — CID 5062315

IUPAC4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O/c1-2-11-3-9-14(10-4-11)17-18-15(19)12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)/b17-14-
InChIKeyYZWQBBOONSMJJG-VKAVYKQESA-N
MW278.78 g/mol
LogP4.03
Rot. Bonds3

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

4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide (PubChem CID 5062315) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
PubChem CID5062315
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O/c1-2-11-3-9-14(10-4-11)17-18-15(19)12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)/b17-14-
InChIKeyYZWQBBOONSMJJG-VKAVYKQESA-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'}

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Related Compounds

N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-chlorobenzamide
CID 9060188
ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
CID 129439843
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The IUPAC name of 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide (CID 5062315) is 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The canonical SMILES for 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide is CCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
The InChIKey is YZWQBBOONSMJJG-VKAVYKQESA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-11-3-9-14(10-4-11)17-18-15(19)12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)/b17-14-.
What are the key properties of 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide?
4-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 4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 5062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).