3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide

C17H14BrFN2O — CID 46435391

IUPAC3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2F)c(Br)c2ccccc21
InChIInChI=1S/C17H14BrFN2O/c1-21-14-9-5-3-7-12(14)15(18)16(21)17(22)20-10-11-6-2-4-8-13(11)19/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAWPBKZWYWMVPDM-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.01
Rot. Bonds3

About 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide

3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide (PubChem CID 46435391) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide
PubChem CID46435391
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2F)c(Br)c2ccccc21
InChIInChI=1S/C17H14BrFN2O/c1-21-14-9-5-3-7-12(14)15(18)16(21)17(22)20-10-11-6-2-4-8-13(11)19/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAWPBKZWYWMVPDM-UHFFFAOYSA-N
XLogP4.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 46493490
3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide
CID 55662850
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 71889789
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
3-bromo-1-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]indole-2-carboxamide
CID 52538277
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
3-bromo-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-methylindole-2-carboxamide
CID 46490443
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
3-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-methylindole-2-carboxamide
CID 55790270

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide (CID 46435391) is 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NCc2ccccc2F)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide?
The InChIKey is AWPBKZWYWMVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-21-14-9-5-3-7-12(14)15(18)16(21)17(22)20-10-11-6-2-4-8-13(11)19/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide?
3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide has a molecular weight of 361.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 46435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).