4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid

C16H12FN3O3 — CID 75497770

IUPAC4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1[nH]nc2ccccc12)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C16H12FN3O3/c17-11-6-5-9(16(22)23)7-14(11)18-15(21)8-13-10-3-1-2-4-12(10)19-20-13/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLDDBTSKNYQHNCQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.58
Rot. Bonds4

About 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid

4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid (PubChem CID 75497770) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
PubChem CID75497770
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1[nH]nc2ccccc12)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C16H12FN3O3/c17-11-6-5-9(16(22)23)7-14(11)18-15(21)8-13-10-3-1-2-4-12(10)19-20-13/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyLDDBTSKNYQHNCQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
3-(3-chloropropanoylamino)-4-fluorobenzoic acid
CID 43700942
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
3-[[2-(carboxymethylsulfanyl)acetyl]amino]-4-fluorobenzoic acid
CID 104569376
3-(5-bromopentanoylamino)-4-fluorobenzoic acid
CID 107908999
4-fluoro-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79260480
1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119168100
3-(aminomethyl)-2H-indazole-5-carboxylic acid
CID 83483911
N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499510
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid (CID 75497770) is 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid is O=C(Cc1[nH]nc2ccccc12)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid?
The InChIKey is LDDBTSKNYQHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-11-6-5-9(16(22)23)7-14(11)18-15(21)8-13-10-3-1-2-4-12(10)19-20-13/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid?
4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid has a molecular weight of 313.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 75497770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).