2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid

C10H10BrFN2O3 — CID 43555976

IUPAC2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyNKALGEDLJWWJLM-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.14
Rot. Bonds3

About 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid

2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid (PubChem CID 43555976) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
PubChem CID43555976
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyNKALGEDLJWWJLM-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79283373
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
4-[(5-chloro-2-fluorophenyl)carbamoyl-methylamino]butanoic acid
CID 43438601
4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61198056
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091
4-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 43329846
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
3-[(5-bromo-2-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 107799746
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196363

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid (CID 43555976) is 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is NKALGEDLJWWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 305.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).