2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid

C11H8ClFN4O3 — CID 66288119

IUPAC2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)Nc2cc(Cl)ccc2F)nn1
InChIInChI=1S/C11H8ClFN4O3/c12-6-1-2-7(13)8(3-6)14-11(20)9-4-17(16-15-9)5-10(18)19/h1-4H,5H2,(H,14,20)(H,18,19)
InChIKeyFCLIULFODKSFCB-UHFFFAOYSA-N
MW298.66 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66288119) has the molecular formula C11H8ClFN4O3 and a molecular weight of 298.66 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66288119
Molecular FormulaC11H8ClFN4O3
Molecular Weight298.66 g/mol
Exact Mass298.03
IUPAC Name2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)Nc2cc(Cl)ccc2F)nn1
InChIInChI=1S/C11H8ClFN4O3/c12-6-1-2-7(13)8(3-6)14-11(20)9-4-17(16-15-9)5-10(18)19/h1-4H,5H2,(H,14,20)(H,18,19)
InChIKeyFCLIULFODKSFCB-UHFFFAOYSA-N
XLogP1.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289358
2-[4-[(2,4,5-trifluorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288564
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66287910
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288769
2-[4-[(2-chlorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66290398
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
2-[4-[(4-bromo-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66291024
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
2-[4-[(5-bromo-2-methoxyphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288965
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 47782084
2-[4-(pyridazin-3-ylcarbamoyl)triazol-1-yl]acetic acid
CID 116787428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid (CID 66288119) is 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)Nc2cc(Cl)ccc2F)nn1.
What is the InChIKey of 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is FCLIULFODKSFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O3/c12-6-1-2-7(13)8(3-6)14-11(20)9-4-17(16-15-9)5-10(18)19/h1-4H,5H2,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 298.66 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-fluorophenyl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66288119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).