2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid

C10H10BrFN2O3 — CID 43135767

IUPAC2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyFAVGQCBRDJGRKS-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.14
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid

2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid (PubChem CID 43135767) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
PubChem CID43135767
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyFAVGQCBRDJGRKS-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid (CID 43135767) is 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is FAVGQCBRDJGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c1-14(5-9(15)16)10(17)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
2-[(4-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-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43135767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).