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

C18H15ClN2O — CID 84579356

IUPAC4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESO=C(NC1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O/c19-12-7-5-11(6-8-12)18(22)20-13-9-15-14-3-1-2-4-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22)
InChIKeyQLTUHAXHOJXWRG-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.72
Rot. Bonds2

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

4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (PubChem CID 84579356) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
PubChem CID84579356
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESO=C(NC1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O/c19-12-7-5-11(6-8-12)18(22)20-13-9-15-14-3-1-2-4-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22)
InChIKeyQLTUHAXHOJXWRG-UHFFFAOYSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.72
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-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (CID 84579356) is 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is O=C(NC1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The InChIKey is QLTUHAXHOJXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-12-7-5-11(6-8-12)18(22)20-13-9-15-14-3-1-2-4-16(14)21-17(15)10-13/h1-8,13,21H,9-10H2,(H,20,22).
What are the key properties of 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide has a molecular weight of 310.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is sourced from PubChem (CID 84579356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).