2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13Cl2NO3 — CID 64813494

IUPAC2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-1-4-8(11(9)15)12(17)16-10-6-2-3-7(10)13(18)19/h1,4-5,7,10H,2-3,6H2,(H,16,17)(H,18,19)
InChIKeyUCMADPINIWDLHO-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.98
Rot. Bonds3

About 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813494) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813494
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-1-4-8(11(9)15)12(17)16-10-6-2-3-7(10)13(18)19/h1,4-5,7,10H,2-3,6H2,(H,16,17)(H,18,19)
InChIKeyUCMADPINIWDLHO-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532932
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64813494) is 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UCMADPINIWDLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-5-1-4-8(11(9)15)12(17)16-10-6-2-3-7(10)13(18)19/h1,4-5,7,10H,2-3,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).