5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide

C16H13FN2O2 — CID 21014388

IUPAC5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O2/c17-12-5-6-14-11(7-12)8-15(18-14)16(21)19-13-4-2-1-3-10(13)9-20/h1-8,18,20H,9H2,(H,19,21)
InChIKeyHVKPBDGWLDOHBV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.05
Rot. Bonds3

About 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide

5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 21014388) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID21014388
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O2/c17-12-5-6-14-11(7-12)8-15(18-14)16(21)19-13-4-2-1-3-10(13)9-20/h1-8,18,20H,9H2,(H,19,21)
InChIKeyHVKPBDGWLDOHBV-UHFFFAOYSA-N
XLogP3.05
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86822053
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide (CID 21014388) is 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccccc1CO)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is HVKPBDGWLDOHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-5-6-14-11(7-12)8-15(18-14)16(21)19-13-4-2-1-3-10(13)9-20/h1-8,18,20H,9H2,(H,19,21).
What are the key properties of 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21014388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).