2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid

C11H11BrClFN2O4 — CID 107614486

IUPAC2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H11BrClFN2O4/c1-4(17)8(10(18)19)15-11(20)16-9-6(12)2-5(14)3-7(9)13/h2-4,8,17H,1H3,(H,18,19)(H2,15,16,20)
InChIKeyNWXHSRRGKXELLN-UHFFFAOYSA-N
MW369.57 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 107614486) has the molecular formula C11H11BrClFN2O4 and a molecular weight of 369.57 g/mol. Its IUPAC name is 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID107614486
Molecular FormulaC11H11BrClFN2O4
Molecular Weight369.57 g/mol
Exact Mass367.96
IUPAC Name2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H11BrClFN2O4/c1-4(17)8(10(18)19)15-11(20)16-9-6(12)2-5(14)3-7(9)13/h2-4,8,17H,1H3,(H,18,19)(H2,15,16,20)
InChIKeyNWXHSRRGKXELLN-UHFFFAOYSA-N
XLogP2.20
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83079335
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557
(2S,3R)-2-[(2,6-dibromo-4-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965774
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107614553
(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841613
(2S,3R)-2-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965677
(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107829611
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
2-[[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107614568
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107629030
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-cyclopropylpropanoic acid
CID 107614479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid (CID 107614486) is 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is NWXHSRRGKXELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN2O4/c1-4(17)8(10(18)19)15-11(20)16-9-6(12)2-5(14)3-7(9)13/h2-4,8,17H,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 369.57 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 107614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).