cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate

C22H24ClNO4 — CID 17128645

IUPACcyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C22H24ClNO4/c1-2-27-20-13-10-16(14-19(20)23)21(25)24-17-11-8-15(9-12-17)22(26)28-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,24,25)
InChIKeyPPNYMYSWRFNQNB-UHFFFAOYSA-N
MW401.89 g/mol
LogP5.48
Rot. Bonds6

About cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate

cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate (PubChem CID 17128645) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
PubChem CID17128645
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Namecyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C22H24ClNO4/c1-2-27-20-13-10-16(14-19(20)23)21(25)24-17-11-8-15(9-12-17)22(26)28-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,24,25)
InChIKeyPPNYMYSWRFNQNB-UHFFFAOYSA-N
XLogP5.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
CID 67977860
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclododecyl 4-acetamidobenzoate
CID 3973983

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate (CID 17128645) is cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate is CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl.
What is the InChIKey of cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate?
The InChIKey is PPNYMYSWRFNQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-2-27-20-13-10-16(14-19(20)23)21(25)24-17-11-8-15(9-12-17)22(26)28-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,24,25).
What are the key properties of cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate?
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate has a molecular weight of 401.89 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17128645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).