N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H20F3N3O — CID 47076267

IUPACN-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)12-25-18-7-3-4-8-19(18)27-20(28)13-9-10-17-15(11-13)14-5-1-2-6-16(14)26-17/h3-4,7-11,25-26H,1-2,5-6,12H2,(H,27,28)
InChIKeySBXVKRXLPPNZFR-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.27
Rot. Bonds4

About N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 47076267) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID47076267
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)12-25-18-7-3-4-8-19(18)27-20(28)13-9-10-17-15(11-13)14-5-1-2-6-16(14)26-17/h3-4,7-11,25-26H,1-2,5-6,12H2,(H,27,28)
InChIKeySBXVKRXLPPNZFR-UHFFFAOYSA-N
XLogP5.27
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 59737260
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
N-[2-(furan-2-yl)-2-hydroxypropyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 111482489
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 167868989
4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829508
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55979033

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 47076267) is N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(Nc1ccccc1NCC(F)(F)F)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is SBXVKRXLPPNZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)12-25-18-7-3-4-8-19(18)27-20(28)13-9-10-17-15(11-13)14-5-1-2-6-16(14)26-17/h3-4,7-11,25-26H,1-2,5-6,12H2,(H,27,28).
What are the key properties of N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 5.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 47076267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).