5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide

C22H16FN3O — CID 39984636

IUPAC5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H16FN3O/c23-17-8-10-20-16(13-17)14-21(26-20)22(27)25-19-6-3-4-15(12-19)7-9-18-5-1-2-11-24-18/h1-14,26H,(H,25,27)/b9-7+
InChIKeyFZUYPOGSFLOERT-VQHVLOKHSA-N
MW357.39 g/mol
LogP5.12
Rot. Bonds4

About 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide

5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 39984636) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
PubChem CID39984636
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H16FN3O/c23-17-8-10-20-16(13-17)14-21(26-20)22(27)25-19-6-3-4-15(12-19)7-9-18-5-1-2-11-24-18/h1-14,26H,(H,25,27)/b9-7+
InChIKeyFZUYPOGSFLOERT-VQHVLOKHSA-N
XLogP5.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
tert-butyl 2-amino-4-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazole-1-carboxylate
CID 122191316
2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 9108507

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide (CID 39984636) is 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide is O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is FZUYPOGSFLOERT-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-17-8-10-20-16(13-17)14-21(26-20)22(27)25-19-6-3-4-15(12-19)7-9-18-5-1-2-11-24-18/h1-14,26H,(H,25,27)/b9-7+.
What are the key properties of 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide?
5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).