3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

C18H15FN2O — CID 84582022

IUPAC3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESO=C(NC1Cc2[nH]c3ccccc3c2C1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-12-5-3-4-11(8-12)18(22)20-13-9-15-14-6-1-2-7-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22)
InChIKeyOAXJPVWKODQZPF-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.20
Rot. Bonds2

About 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (PubChem CID 84582022) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
PubChem CID84582022
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESO=C(NC1Cc2[nH]c3ccccc3c2C1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-12-5-3-4-11(8-12)18(22)20-13-9-15-14-6-1-2-7-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22)
InChIKeyOAXJPVWKODQZPF-UHFFFAOYSA-N
XLogP3.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (CID 84582022) is 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is O=C(NC1Cc2[nH]c3ccccc3c2C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The InChIKey is OAXJPVWKODQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-12-5-3-4-11(8-12)18(22)20-13-9-15-14-6-1-2-7-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22).
What are the key properties of 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide has a molecular weight of 294.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is sourced from PubChem (CID 84582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).