7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide

C17H14F2N2O — CID 110851268

IUPAC7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(F)cccc2c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O/c1-10-15(13-3-2-4-14(19)16(13)21-10)17(22)20-9-11-5-7-12(18)8-6-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyKYQHMRUAKUQVSO-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.68
Rot. Bonds3

About 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide

7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 110851268) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID110851268
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(F)cccc2c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O/c1-10-15(13-3-2-4-14(19)16(13)21-10)17(22)20-9-11-5-7-12(18)8-6-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyKYQHMRUAKUQVSO-UHFFFAOYSA-N
XLogP3.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851704
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
8-fluoro-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70681536
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
2-(7-fluoro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110851272
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide (CID 110851268) is 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2c(F)cccc2c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is KYQHMRUAKUQVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-10-15(13-3-2-4-14(19)16(13)21-10)17(22)20-9-11-5-7-12(18)8-6-11/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide?
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110851268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).