N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide

C23H24F2N2O2 — CID 144813115

IUPACN-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCCCC3)c3c(F)cccc32)cc1F
InChIInChI=1S/C23H24F2N2O2/c1-29-21-11-10-15(12-19(21)25)13-27-14-17(22-18(24)8-5-9-20(22)27)23(28)26-16-6-3-2-4-7-16/h5,8-12,14,16H,2-4,6-7,13H2,1H3,(H,26,28)
InChIKeyZNGSTHCFHNCQEI-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.04
Rot. Bonds5

About N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide

N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide (PubChem CID 144813115) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
PubChem CID144813115
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC NameN-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCCCC3)c3c(F)cccc32)cc1F
InChIInChI=1S/C23H24F2N2O2/c1-29-21-11-10-15(12-19(21)25)13-27-14-17(22-18(24)8-5-9-20(22)27)23(28)26-16-6-3-2-4-7-16/h5,8-12,14,16H,2-4,6-7,13H2,1H3,(H,26,28)
InChIKeyZNGSTHCFHNCQEI-UHFFFAOYSA-N
XLogP5.04
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
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
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide (CID 144813115) is N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide is COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c3c(F)cccc32)cc1F.
What is the InChIKey of N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide?
The InChIKey is ZNGSTHCFHNCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-29-21-11-10-15(12-19(21)25)13-27-14-17(22-18(24)8-5-9-20(22)27)23(28)26-16-6-3-2-4-7-16/h5,8-12,14,16H,2-4,6-7,13H2,1H3,(H,26,28).
What are the key properties of N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide?
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 144813115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).