2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid

C16H12FN3O3 — CID 75516569

IUPAC2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1cccc2cn[nH]c12
InChIInChI=1S/C16H12FN3O3/c17-12-7-2-1-5-10(12)14(16(22)23)19-15(21)11-6-3-4-9-8-18-20-13(9)11/h1-8,14H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyHPWNKKWQKQXCFH-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid

2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid (PubChem CID 75516569) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
PubChem CID75516569
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1cccc2cn[nH]c12
InChIInChI=1S/C16H12FN3O3/c17-12-7-2-1-5-10(12)14(16(22)23)19-15(21)11-6-3-4-9-8-18-20-13(9)11/h1-8,14H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyHPWNKKWQKQXCFH-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

N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
CID 55972822
3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
CID 75526368
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
CID 91953036
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 170858350
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
CID 97337478
N'-methyl-N'-phenyl-1H-indazole-7-carbohydrazide
CID 69242941
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
CID 31817367

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid (CID 75516569) is 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid is O=C(NC(C(=O)O)c1ccccc1F)c1cccc2cn[nH]c12.
What is the InChIKey of 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid?
The InChIKey is HPWNKKWQKQXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-12-7-2-1-5-10(12)14(16(22)23)19-15(21)11-6-3-4-9-8-18-20-13(9)11/h1-8,14H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid?
2-(2-fluorophenyl)-2-(1H-indazole-7-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-7-carbonylamino)acetic acid is sourced from PubChem (CID 75516569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).