3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C19H16ClFN2O — CID 113096785

IUPAC3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c20-12-3-1-2-11(8-12)19(24)22-14-5-7-18-16(10-14)15-9-13(21)4-6-17(15)23-18/h1-4,6,8-9,14,23H,5,7,10H2,(H,22,24)
InChIKeyCQBRDXPBDFMCTE-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.25
Rot. Bonds2

About 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113096785) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113096785
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c20-12-3-1-2-11(8-12)19(24)22-14-5-7-18-16(10-14)15-9-13(21)4-6-17(15)23-18/h1-4,6,8-9,14,23H,5,7,10H2,(H,22,24)
InChIKeyCQBRDXPBDFMCTE-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.25
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

1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
CID 92768183
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113096785) is 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is O=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is CQBRDXPBDFMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-12-3-1-2-11(8-12)19(24)22-14-5-7-18-16(10-14)15-9-13(21)4-6-17(15)23-18/h1-4,6,8-9,14,23H,5,7,10H2,(H,22,24).
What are the key properties of 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 342.80 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113096785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).