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

C20H18F2N2O2 — CID 113097069

IUPAC3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)c(F)c1)CC3
InChIInChI=1S/C20H18F2N2O2/c1-26-13-4-7-19-15(10-13)14-9-12(3-6-18(14)24-19)23-20(25)11-2-5-16(21)17(22)8-11/h2,4-5,7-8,10,12,24H,3,6,9H2,1H3,(H,23,25)
InChIKeyKPUXIQXIRKFRSR-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.74
Rot. Bonds3

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

3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097069) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097069
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)c(F)c1)CC3
InChIInChI=1S/C20H18F2N2O2/c1-26-13-4-7-19-15(10-13)14-9-12(3-6-18(14)24-19)23-20(25)11-2-5-16(21)17(22)8-11/h2,4-5,7-8,10,12,24H,3,6,9H2,1H3,(H,23,25)
InChIKeyKPUXIQXIRKFRSR-UHFFFAOYSA-N
XLogP3.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,5-dimethoxybenzamide
CID 92768204
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 91352168
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097069) is 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccc(F)c(F)c1)CC3.
What is the InChIKey of 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is KPUXIQXIRKFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-26-13-4-7-19-15(10-13)14-9-12(3-6-18(14)24-19)23-20(25)11-2-5-16(21)17(22)8-11/h2,4-5,7-8,10,12,24H,3,6,9H2,1H3,(H,23,25).
What are the key properties of 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 356.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).