2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid

C15H18BrNO4 — CID 64671810

IUPAC2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1ccc(Br)c(C(=O)NC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H18BrNO4/c1-21-10-4-5-12(16)11(8-10)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySUSQEGWEDUIDLN-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 64671810) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
PubChem CID64671810
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1ccc(Br)c(C(=O)NC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H18BrNO4/c1-21-10-4-5-12(16)11(8-10)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySUSQEGWEDUIDLN-UHFFFAOYSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
N-[1-(chloromethyl)cyclohexyl]-2,5-dimethoxybenzamide
CID 114303372

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid (CID 64671810) is 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid is COc1ccc(Br)c(C(=O)NC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is SUSQEGWEDUIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-21-10-4-5-12(16)11(8-10)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 356.22 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).