ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate

C21H22ClNO3 — CID 2202566

IUPACethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C21H22ClNO3/c1-2-26-19(24)15-5-11-18(12-6-15)23-20(25)21(13-3-4-14-21)16-7-9-17(22)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,23,25)
InChIKeySGIXCFVXINMUCJ-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.97
Rot. Bonds5

About ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate

ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate (PubChem CID 2202566) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate
PubChem CID2202566
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Nameethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C21H22ClNO3/c1-2-26-19(24)15-5-11-18(12-6-15)23-20(25)21(13-3-4-14-21)16-7-9-17(22)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,23,25)
InChIKeySGIXCFVXINMUCJ-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(benzoylamino)benzoate
CID 12914
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
4-Chloro-N-(3-oxo-1,3-dihydro-isobenzofuran-5-yl)-benzamide
CID 738090
2-Chloro-N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)benzamide
CID 738094
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Ethyl 4-(adamantane-1-carbonylamino)benzoate
CID 2827422
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910
4-[(Bicyclo[4.1.0]heptane-7-carbonyl)-amino]-benzoic acid ethyl ester
CID 579213
2,4-Dichloro-N-(3-oxo-1,3-dihydro-isobenzofuran-5-yl)-benzamide
CID 599573
3,4-dichloro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 713162
4-{[(1-Phenylcyclopentyl)carbonyl]amino}benzoic acid
CID 933525
2-Phenylethyl 4-acetamidobenzoate
CID 2449194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate (CID 2202566) is ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate?
The InChIKey is SGIXCFVXINMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-2-26-19(24)15-5-11-18(12-6-15)23-20(25)21(13-3-4-14-21)16-7-9-17(22)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate?
ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate has a molecular weight of 371.86 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzoate is sourced from PubChem (CID 2202566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).