5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid

C16H11FN2O3 — CID 43823307

IUPAC5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H11FN2O3/c17-10-5-6-13(11(8-10)16(21)22)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20)(H,21,22)
InChIKeyMBXCWJPKLIDSDV-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.26
Rot. Bonds3

About 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid

5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid (PubChem CID 43823307) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
PubChem CID43823307
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H11FN2O3/c17-10-5-6-13(11(8-10)16(21)22)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20)(H,21,22)
InChIKeyMBXCWJPKLIDSDV-UHFFFAOYSA-N
XLogP3.26
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 61077035
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
CID 102854713
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 44592485
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid (CID 43823307) is 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)c1cc2ccccc2[nH]1.
What is the InChIKey of 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid?
The InChIKey is MBXCWJPKLIDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-10-5-6-13(11(8-10)16(21)22)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20)(H,21,22).
What are the key properties of 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid?
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid has a molecular weight of 298.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid is sourced from PubChem (CID 43823307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).