2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13Br2NO3 — CID 107938073

IUPAC2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2NO3/c14-7-4-5-8(10(15)6-7)12(17)16-11-3-1-2-9(11)13(18)19/h4-6,9,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyYVROFJSZYZAOIP-UHFFFAOYSA-N
MW391.06 g/mol
LogP3.19
Rot. Bonds3

About 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 107938073) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID107938073
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Name2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2NO3/c14-7-4-5-8(10(15)6-7)12(17)16-11-3-1-2-9(11)13(18)19/h4-6,9,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyYVROFJSZYZAOIP-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 107938073) is 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YVROFJSZYZAOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c14-7-4-5-8(10(15)6-7)12(17)16-11-3-1-2-9(11)13(18)19/h4-6,9,11H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 391.06 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).