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

C14H16BrNO3 — CID 106703293

IUPAC2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCC2C(=O)O)c1Br
InChIInChI=1S/C14H16BrNO3/c1-8-4-2-6-10(12(8)15)13(17)16-11-7-3-5-9(11)14(18)19/h2,4,6,9,11H,3,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYMUVCQSNFVONPR-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.74
Rot. Bonds3

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

2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106703293) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106703293
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCC2C(=O)O)c1Br
InChIInChI=1S/C14H16BrNO3/c1-8-4-2-6-10(12(8)15)13(17)16-11-7-3-5-9(11)14(18)19/h2,4,6,9,11H,3,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYMUVCQSNFVONPR-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532932
2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 107982436
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 114023828

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106703293) is 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1cccc(C(=O)NC2CCCC2C(=O)O)c1Br.
What is the InChIKey of 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YMUVCQSNFVONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-8-4-2-6-10(12(8)15)13(17)16-11-7-3-5-9(11)14(18)19/h2,4,6,9,11H,3,5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106703293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).