1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C14H16BrNO4 — CID 81361676

IUPAC1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H16BrNO4/c1-20-11-7-9(15)3-4-10(11)12(17)16-8-14(13(18)19)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeySTXSLTXPONCUST-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.44
Rot. Bonds5

About 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81361676) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81361676
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H16BrNO4/c1-20-11-7-9(15)3-4-10(11)12(17)16-8-14(13(18)19)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeySTXSLTXPONCUST-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1-fluorocyclopropyl)methyl]-2-methoxybenzamide
CID 172609997
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679
1-[[(4-bromo-2-nitrobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543747
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
1-[[(2-bromo-4-fluorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362165
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
1-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120690142
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81361676) is 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is COc1cc(Br)ccc1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is STXSLTXPONCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-20-11-7-9(15)3-4-10(11)12(17)16-8-14(13(18)19)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81361676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).