4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

C19H17FN2O — CID 84579471

IUPAC4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)cc1)C3
InChIInChI=1S/C19H17FN2O/c1-11-2-7-17-15(8-11)16-9-14(10-18(16)22-17)21-19(23)12-3-5-13(20)6-4-12/h2-8,14,22H,9-10H2,1H3,(H,21,23)
InChIKeyWBDJCWAGJWLSPA-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.51
Rot. Bonds2

About 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (PubChem CID 84579471) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
PubChem CID84579471
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)cc1)C3
InChIInChI=1S/C19H17FN2O/c1-11-2-7-17-15(8-11)16-9-14(10-18(16)22-17)21-19(23)12-3-5-13(20)6-4-12/h2-8,14,22H,9-10H2,1H3,(H,21,23)
InChIKeyWBDJCWAGJWLSPA-UHFFFAOYSA-N
XLogP3.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (CID 84579471) is 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)cc1)C3.
What is the InChIKey of 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The InChIKey is WBDJCWAGJWLSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-11-2-7-17-15(8-11)16-9-14(10-18(16)22-17)21-19(23)12-3-5-13(20)6-4-12/h2-8,14,22H,9-10H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is sourced from PubChem (CID 84579471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).