(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide

C17H18BrF3N2O — CID 92758575

IUPAC(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@H](CC(F)(F)F)C(=O)N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C17H18BrF3N2O/c1-9(8-17(19,20)21)16(24)22-11-3-5-15-13(7-11)12-6-10(18)2-4-14(12)23-15/h2,4,6,9,11,23H,3,5,7-8H2,1H3,(H,22,24)/t9-,11+/m1/s1
InChIKeyDYIJSSNDNWLCKX-KOLCDFICSA-N
MW403.24 g/mol
LogP4.49
Rot. Bonds3

About (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide

(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide (PubChem CID 92758575) has the molecular formula C17H18BrF3N2O and a molecular weight of 403.24 g/mol. Its IUPAC name is (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide
PubChem CID92758575
Molecular FormulaC17H18BrF3N2O
Molecular Weight403.24 g/mol
Exact Mass402.06
IUPAC Name(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@H](CC(F)(F)F)C(=O)N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C17H18BrF3N2O/c1-9(8-17(19,20)21)16(24)22-11-3-5-15-13(7-11)12-6-10(18)2-4-14(12)23-15/h2,4,6,9,11,23H,3,5,7-8H2,1H3,(H,22,24)/t9-,11+/m1/s1
InChIKeyDYIJSSNDNWLCKX-KOLCDFICSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide 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-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4-methylcyclohexane-1-carboxamide
CID 92758417
N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,5-dimethoxybenzamide
CID 92768204
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-methylcyclohexa-2,5-diene-1-carboxamide
CID 46098178
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 155680779
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
CID 92768183
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
(3R)-6-bromo-N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 54353659
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide?
The IUPAC name of (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide (CID 92758575) is (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide is C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1.
What is the InChIKey of (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide?
The InChIKey is DYIJSSNDNWLCKX-KOLCDFICSA-N. The full InChI is InChI=1S/C17H18BrF3N2O/c1-9(8-17(19,20)21)16(24)22-11-3-5-15-13(7-11)12-6-10(18)2-4-14(12)23-15/h2,4,6,9,11,23H,3,5,7-8H2,1H3,(H,22,24)/t9-,11+/m1/s1.
What are the key properties of (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide?
(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide has a molecular weight of 403.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide is sourced from PubChem (CID 92758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).