cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate

C20H20ClNO3 — CID 17128630

IUPACcyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c21-16-10-6-14(7-11-16)19(23)22-17-12-8-15(9-13-17)20(24)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,22,23)
InChIKeyGMSFWKPKVRVZIP-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.08
Rot. Bonds4

About cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate

cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 17128630) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
PubChem CID17128630
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Namecyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c21-16-10-6-14(7-11-16)19(23)22-17-12-8-15(9-13-17)20(24)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,22,23)
InChIKeyGMSFWKPKVRVZIP-UHFFFAOYSA-N
XLogP5.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate 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

cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate
CID 17128634
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate (CID 17128630) is cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate is O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is GMSFWKPKVRVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-16-10-6-14(7-11-16)19(23)22-17-12-8-15(9-13-17)20(24)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,22,23).
What are the key properties of cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate?
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 357.84 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 17128630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).