2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid

C10H9BrFNO4 — CID 24690745

IUPAC2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyGMWOLAOTBIUCSA-UHFFFAOYSA-N
MW306.09 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid

2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 24690745) has the molecular formula C10H9BrFNO4 and a molecular weight of 306.09 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID24690745
Molecular FormulaC10H9BrFNO4
Molecular Weight306.09 g/mol
Exact Mass304.97
IUPAC Name2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyGMWOLAOTBIUCSA-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-bromo-2-(trifluoromethyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 107332587
(2R)-2-[(5-bromo-2-iodobenzoyl)amino]-3-hydroxypropanoic acid
CID 80747894
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
CID 80749154
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107949365
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
4-bromo-2-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631325
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid (CID 24690745) is 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is GMWOLAOTBIUCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO4/c11-5-1-2-6(7(12)3-5)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid?
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 306.09 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 24690745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).