2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid

C16H12FN3O3 — CID 170858350

IUPAC2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12FN3O3/c17-11-7-3-1-5-9(11)14(16(22)23)18-15(21)13-10-6-2-4-8-12(10)19-20-13/h1-8,14H,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLNMYQQOOJFRANS-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid

2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid (PubChem CID 170858350) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
PubChem CID170858350
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12FN3O3/c17-11-7-3-1-5-9(11)14(16(22)23)18-15(21)13-10-6-2-4-8-12(10)19-20-13/h1-8,14H,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLNMYQQOOJFRANS-UHFFFAOYSA-N
XLogP2.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 95207525
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 86971927
(2S)-2-(2-fluorophenyl)-2-[[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 136916464
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid (CID 170858350) is 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid is O=C(NC(C(=O)O)c1ccccc1F)c1n[nH]c2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The InChIKey is LNMYQQOOJFRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-11-7-3-1-5-9(11)14(16(22)23)18-15(21)13-10-6-2-4-8-12(10)19-20-13/h1-8,14H,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid?
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid has a molecular weight of 313.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid is sourced from PubChem (CID 170858350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).