1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

C15H17ClN2O4 — CID 119350557

IUPAC1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H17ClN2O4/c1-9(19)17-10-4-5-12(16)11(8-10)13(20)18-15(14(21)22)6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyAJRDVUFYJQTTBL-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.43
Rot. Bonds4

About 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119350557) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119350557
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H17ClN2O4/c1-9(19)17-10-4-5-12(16)11(8-10)13(20)18-15(14(21)22)6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyAJRDVUFYJQTTBL-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538932
1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43427424
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
2-[[(5-acetamido-2-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 120533366
1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106850899
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(3-chloro-4-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81164066
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 119350557) is 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is CC(=O)Nc1ccc(Cl)c(C(=O)NC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AJRDVUFYJQTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-9(19)17-10-4-5-12(16)11(8-10)13(20)18-15(14(21)22)6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 324.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119350557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).