2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid

C14H16BrNO4 — CID 79848463

IUPAC2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
SMILESCOc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1Br
InChIInChI=1S/C14H16BrNO4/c1-20-11-4-3-9(7-10(11)15)13(19)16-14(5-2-6-14)8-12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZAWKPFJEZQLPHV-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79848463) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79848463
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
SMILESCOc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1Br
InChIInChI=1S/C14H16BrNO4/c1-20-11-4-3-9(7-10(11)15)13(19)16-14(5-2-6-14)8-12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZAWKPFJEZQLPHV-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 114314711
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64671810
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 120686845
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid (CID 79848463) is 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid is COc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1Br.
What is the InChIKey of 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is ZAWKPFJEZQLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-20-11-4-3-9(7-10(11)15)13(19)16-14(5-2-6-14)8-12(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 342.19 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).