N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide

C21H20F3N3O2 — CID 18971914

IUPACN-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide
SMILESNCC1CCc2[nH]c3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3c2C1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-3-1-2-13(9-15)20(28)26-14-5-7-19-17(10-14)16-8-12(11-25)4-6-18(16)27-19/h1-3,5,7,9-10,12,27H,4,6,8,11,25H2,(H,26,28)
InChIKeySLUNGOYYYDRITL-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.38
Rot. Bonds4

About N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide

N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 18971914) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide
PubChem CID18971914
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide
SMILESNCC1CCc2[nH]c3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3c2C1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-3-1-2-13(9-15)20(28)26-14-5-7-19-17(10-14)16-8-12(11-25)4-6-18(16)27-19/h1-3,5,7,9-10,12,27H,4,6,8,11,25H2,(H,26,28)
InChIKeySLUNGOYYYDRITL-UHFFFAOYSA-N
XLogP4.38
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide (CID 18971914) is N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide is NCC1CCc2[nH]c3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3c2C1.
What is the InChIKey of N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is SLUNGOYYYDRITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-3-1-2-13(9-15)20(28)26-14-5-7-19-17(10-14)16-8-12(11-25)4-6-18(16)27-19/h1-3,5,7,9-10,12,27H,4,6,8,11,25H2,(H,26,28).
What are the key properties of N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide?
N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 18971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).