N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide

C20H25FN2O — CID 143176250

IUPACN-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCCCCC1=CCCCCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H25FN2O/c21-17-10-11-18-16(13-17)14-19(23-18)20(24)22-12-6-5-9-15-7-3-1-2-4-8-15/h7,10-11,13-14,23H,1-6,8-9,12H2,(H,22,24)
InChIKeyLEVGHESEIJXKBA-UHFFFAOYSA-N
MW328.43 g/mol
LogP5.10
Rot. Bonds6

About N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide

N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 143176250) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID143176250
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCCCCC1=CCCCCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H25FN2O/c21-17-10-11-18-16(13-17)14-19(23-18)20(24)22-12-6-5-9-15-7-3-1-2-4-8-15/h7,10-11,13-14,23H,1-6,8-9,12H2,(H,22,24)
InChIKeyLEVGHESEIJXKBA-UHFFFAOYSA-N
XLogP5.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide (CID 143176250) is N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide is O=C(NCCCCC1=CCCCCC1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is LEVGHESEIJXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-17-10-11-18-16(13-17)14-19(23-18)20(24)22-12-6-5-9-15-7-3-1-2-4-8-15/h7,10-11,13-14,23H,1-6,8-9,12H2,(H,22,24).
What are the key properties of N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide?
N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 143176250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).