N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide

C21H20F2N2O — CID 23470229

IUPACN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1
InChIInChI=1S/C21H20F2N2O/c1-12-3-5-13(6-4-12)21(26)25(2)15-7-8-19-16(11-15)17-9-14(22)10-18(23)20(17)24-19/h3-6,9-10,15,24H,7-8,11H2,1-2H3
InChIKeyTWEAHGZHIGKDEQ-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.38
Rot. Bonds2

About N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide

N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide (PubChem CID 23470229) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide
PubChem CID23470229
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1
InChIInChI=1S/C21H20F2N2O/c1-12-3-5-13(6-4-12)21(26)25(2)15-7-8-19-16(11-15)17-9-14(22)10-18(23)20(17)24-19/h3-6,9-10,15,24H,7-8,11H2,1-2H3
InChIKeyTWEAHGZHIGKDEQ-UHFFFAOYSA-N
XLogP4.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide
CID 166431007
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166432349
6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470307
N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470527
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470200
6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 65332564
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
6-(dimethylamino)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 23470505
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335745

Frequently Asked Questions

What is the IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide?
The IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide (CID 23470229) is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide?
The canonical SMILES for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1.
What is the InChIKey of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide?
The InChIKey is TWEAHGZHIGKDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c1-12-3-5-13(6-4-12)21(26)25(2)15-7-8-19-16(11-15)17-9-14(22)10-18(23)20(17)24-19/h3-6,9-10,15,24H,7-8,11H2,1-2H3.
What are the key properties of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide?
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide has a molecular weight of 354.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide is sourced from PubChem (CID 23470229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).