3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid

C11H11BrClNO3 — CID 55105060

IUPAC3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cc(Br)ccc1Cl)C(=O)O
InChIInChI=1S/C11H11BrClNO3/c1-6(11(16)17)5-14-10(15)8-4-7(12)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyLCHNZSWUTCEOAJ-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.55
Rot. Bonds4

About 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid

3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 55105060) has the molecular formula C11H11BrClNO3 and a molecular weight of 320.57 g/mol. Its IUPAC name is 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID55105060
Molecular FormulaC11H11BrClNO3
Molecular Weight320.57 g/mol
Exact Mass318.96
IUPAC Name3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cc(Br)ccc1Cl)C(=O)O
InChIInChI=1S/C11H11BrClNO3/c1-6(11(16)17)5-14-10(15)8-4-7(12)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyLCHNZSWUTCEOAJ-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668651
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid (CID 55105060) is 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1cc(Br)ccc1Cl)C(=O)O.
What is the InChIKey of 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is LCHNZSWUTCEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3/c1-6(11(16)17)5-14-10(15)8-4-7(12)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid?
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 320.57 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55105060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).