2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid

C16H10FNO3 — CID 82782160

IUPAC2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H10FNO3/c17-12-6-3-7-13-14(12)11(8-18-13)15(19)9-4-1-2-5-10(9)16(20)21/h1-8,18H,(H,20,21)
InChIKeyLDCAUIRHBKXPGN-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid

2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid (PubChem CID 82782160) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
PubChem CID82782160
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H10FNO3/c17-12-6-3-7-13-14(12)11(8-18-13)15(19)9-4-1-2-5-10(9)16(20)21/h1-8,18H,(H,20,21)
InChIKeyLDCAUIRHBKXPGN-UHFFFAOYSA-N
XLogP3.24
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid?
The IUPAC name of 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid (CID 82782160) is 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid.
What is the SMILES notation for 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid?
The canonical SMILES for 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid?
The InChIKey is LDCAUIRHBKXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-12-6-3-7-13-14(12)11(8-18-13)15(19)9-4-1-2-5-10(9)16(20)21/h1-8,18H,(H,20,21).
What are the key properties of 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid?
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid has a molecular weight of 283.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid is sourced from PubChem (CID 82782160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).