2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13BrClNO3 — CID 114025733

IUPAC2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H13BrClNO3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyBBEYVDZBEJCYIA-UHFFFAOYSA-N
MW346.61 g/mol
LogP3.09
Rot. Bonds3

About 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114025733) has the molecular formula C13H13BrClNO3 and a molecular weight of 346.61 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114025733
Molecular FormulaC13H13BrClNO3
Molecular Weight346.61 g/mol
Exact Mass344.98
IUPAC Name2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H13BrClNO3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyBBEYVDZBEJCYIA-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
2-[(3-bromo-5-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107938194

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 114025733) is 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BBEYVDZBEJCYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 346.61 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114025733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).