1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide

C22H23FN2O — CID 123211573

IUPAC1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2cccc(F)c12
InChIInChI=1S/C22H23FN2O/c23-19-12-7-13-20-21(19)18(22(26)24-17-10-5-2-6-11-17)15-25(20)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11,14H2,(H,24,26)
InChIKeyVMDHCJXUQDSMDS-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.89
Rot. Bonds4

About 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide

1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide (PubChem CID 123211573) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
PubChem CID123211573
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2cccc(F)c12
InChIInChI=1S/C22H23FN2O/c23-19-12-7-13-20-21(19)18(22(26)24-17-10-5-2-6-11-17)15-25(20)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11,14H2,(H,24,26)
InChIKeyVMDHCJXUQDSMDS-UHFFFAOYSA-N
XLogP4.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-[(2,5-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312869
1-[(2-bromo-1,3-thiazol-5-yl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312988

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide (CID 123211573) is 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide is O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2cccc(F)c12.
What is the InChIKey of 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide?
The InChIKey is VMDHCJXUQDSMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-19-12-7-13-20-21(19)18(22(26)24-17-10-5-2-6-11-17)15-25(20)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11,14H2,(H,24,26).
What are the key properties of 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide?
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide is sourced from PubChem (CID 123211573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).