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

C26H29FN2O2 — CID 159266559

IUPACN-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
SMILESCCC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C26H29FN2O2/c1-2-24(30)19-14-12-18(13-15-19)16-29-17-21(25-22(27)10-7-11-23(25)29)26(31)28-20-8-5-3-4-6-9-20/h7,10-15,17,20H,2-6,8-9,16H2,1H3,(H,28,31)
InChIKeyKXEFOFAASXZQNJ-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.87
Rot. Bonds6

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

N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide (PubChem CID 159266559) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
PubChem CID159266559
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC NameN-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
SMILESCCC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1
InChIInChI=1S/C26H29FN2O2/c1-2-24(30)19-14-12-18(13-15-19)16-29-17-21(25-22(27)10-7-11-23(25)29)26(31)28-20-8-5-3-4-6-9-20/h7,10-15,17,20H,2-6,8-9,16H2,1H3,(H,28,31)
InChIKeyKXEFOFAASXZQNJ-UHFFFAOYSA-N
XLogP5.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 158714807
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-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
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
CID 158014533

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide (CID 159266559) is N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide is CCC(=O)c1ccc(Cn2cc(C(=O)NC3CCCCCC3)c3c(F)cccc32)cc1.
What is the InChIKey of N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The InChIKey is KXEFOFAASXZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-2-24(30)19-14-12-18(13-15-19)16-29-17-21(25-22(27)10-7-11-23(25)29)26(31)28-20-8-5-3-4-6-9-20/h7,10-15,17,20H,2-6,8-9,16H2,1H3,(H,28,31).
What are the key properties of N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 159266559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).