N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide

C17H15FN2O — CID 110695040

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-11-8-14-9-12(6-7-16(14)20-11)17(21)19-10-13-4-2-3-5-15(13)18/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyDKZFPFGZQKZFMJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.55
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide (PubChem CID 110695040) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
PubChem CID110695040
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-11-8-14-9-12(6-7-16(14)20-11)17(21)19-10-13-4-2-3-5-15(13)18/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyDKZFPFGZQKZFMJ-UHFFFAOYSA-N
XLogP3.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 171676575
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide (CID 110695040) is N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)NCc3ccccc3F)ccc2[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide?
The InChIKey is DKZFPFGZQKZFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-8-14-9-12(6-7-16(14)20-11)17(21)19-10-13-4-2-3-5-15(13)18/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 110695040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).