N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide

C16H12F2N2O — CID 62227209

IUPACN-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cccc2[nH]ccc12
InChIInChI=1S/C16H12F2N2O/c17-11-5-4-10(14(18)8-11)9-20-16(21)13-2-1-3-15-12(13)6-7-19-15/h1-8,19H,9H2,(H,20,21)
InChIKeyLHYKMWVYTKQAEE-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.38
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide (PubChem CID 62227209) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
PubChem CID62227209
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cccc2[nH]ccc12
InChIInChI=1S/C16H12F2N2O/c17-11-5-4-10(14(18)8-11)9-20-16(21)13-2-1-3-15-12(13)6-7-19-15/h1-8,19H,9H2,(H,20,21)
InChIKeyLHYKMWVYTKQAEE-UHFFFAOYSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-(5-fluoro-2-methylphenyl)-1H-indole-4-carboxamide
CID 43582640
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
1H-indole-4-carbohydrazide
CID 43316644
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
CID 22978564

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide (CID 62227209) is N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide?
The InChIKey is LHYKMWVYTKQAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-11-5-4-10(14(18)8-11)9-20-16(21)13-2-1-3-15-12(13)6-7-19-15/h1-8,19H,9H2,(H,20,21).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 62227209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).