N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide

C24H22FN3O2 — CID 123629907

IUPACN-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide
SMILESO=C(NC1CCC1)C1C=NCCc2c1n(C(=O)c1ccc(F)cc1)c1ccccc21
InChIInChI=1S/C24H22FN3O2/c25-16-10-8-15(9-11-16)24(30)28-21-7-2-1-6-18(21)19-12-13-26-14-20(22(19)28)23(29)27-17-4-3-5-17/h1-2,6-11,14,17,20H,3-5,12-13H2,(H,27,29)
InChIKeyWRHXRIISHOQCND-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.85
Rot. Bonds3

About N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide

N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide (PubChem CID 123629907) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide
PubChem CID123629907
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide
SMILESO=C(NC1CCC1)C1C=NCCc2c1n(C(=O)c1ccc(F)cc1)c1ccccc21
InChIInChI=1S/C24H22FN3O2/c25-16-10-8-15(9-11-16)24(30)28-21-7-2-1-6-18(21)19-12-13-26-14-20(22(19)28)23(29)27-17-4-3-5-17/h1-2,6-11,14,17,20H,3-5,12-13H2,(H,27,29)
InChIKeyWRHXRIISHOQCND-UHFFFAOYSA-N
XLogP3.85
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide with MolForge

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Related Compounds

butyl 6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 123724997
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
ethyl 6-(4-methyl-3-nitrobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 123940802
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-cyclohexyl-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide
CID 66639998
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-cyclopentyl-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160038
2,2,2-trifluoro-1-[1-methyl-9-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]ethanone
CID 102061055
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide?
The IUPAC name of N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide (CID 123629907) is N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide is O=C(NC1CCC1)C1C=NCCc2c1n(C(=O)c1ccc(F)cc1)c1ccccc21.
What is the InChIKey of N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide?
The InChIKey is WRHXRIISHOQCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-16-10-8-15(9-11-16)24(30)28-21-7-2-1-6-18(21)19-12-13-26-14-20(22(19)28)23(29)27-17-4-3-5-17/h1-2,6-11,14,17,20H,3-5,12-13H2,(H,27,29).
What are the key properties of N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide?
N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-(4-fluorobenzoyl)-2,5-dihydro-1H-azepino[4,5-b]indole-5-carboxamide is sourced from PubChem (CID 123629907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).