N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide

C25H28FN3O2 — CID 121482780

IUPACN-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C25H28FN3O2/c1-27-24(30)18-13-11-17(12-14-18)15-29-16-20(23-21(26)9-6-10-22(23)29)25(31)28-19-7-4-2-3-5-8-19/h6,9-14,16,19H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyLIPNBNDPTOSLEH-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.64
Rot. Bonds5

About N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide

N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide (PubChem CID 121482780) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
PubChem CID121482780
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C25H28FN3O2/c1-27-24(30)18-13-11-17(12-14-18)15-29-16-20(23-21(26)9-6-10-22(23)29)25(31)28-19-7-4-2-3-5-8-19/h6,9-14,16,19H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyLIPNBNDPTOSLEH-UHFFFAOYSA-N
XLogP4.64
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
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-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
CID 158014533
4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 158714807
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
N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813167
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide (CID 121482780) is N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide is CNC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1.
What is the InChIKey of N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is LIPNBNDPTOSLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-27-24(30)18-13-11-17(12-14-18)15-29-16-20(23-21(26)9-6-10-22(23)29)25(31)28-19-7-4-2-3-5-8-19/h6,9-14,16,19H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide?
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 121482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).