(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C16H11BrClFN2 — CID 139504207

IUPAC(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESFc1cc2nc3c(n2cc1Br)[C@@H](c1ccccc1Cl)CC3
InChIInChI=1S/C16H11BrClFN2/c17-11-8-21-15(7-13(11)19)20-14-6-5-10(16(14)21)9-3-1-2-4-12(9)18/h1-4,7-8,10H,5-6H2/t10-/m1/s1
InChIKeyBAFYTMJCURUCMA-SNVBAGLBSA-N
MW365.63 g/mol
LogP4.97
Rot. Bonds1

About (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 139504207) has the molecular formula C16H11BrClFN2 and a molecular weight of 365.63 g/mol. Its IUPAC name is (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID139504207
Molecular FormulaC16H11BrClFN2
Molecular Weight365.63 g/mol
Exact Mass363.98
IUPAC Name(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESFc1cc2nc3c(n2cc1Br)[C@@H](c1ccccc1Cl)CC3
InChIInChI=1S/C16H11BrClFN2/c17-11-8-21-15(7-13(11)19)20-14-6-5-10(16(14)21)9-3-1-2-4-12(9)18/h1-4,7-8,10H,5-6H2/t10-/m1/s1
InChIKeyBAFYTMJCURUCMA-SNVBAGLBSA-N
XLogP4.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene 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

(3S)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118138964
12-bromo-3-[2-(difluoromethoxy)phenyl]-11-fluoro-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152390
(6R)-2-bromo-9-[2-(2,2-difluoroethyl)phenyl]-3-fluoro-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 139541161
(3S)-11-bromo-10-fluoro-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 118138881
(3R)-10-fluoro-11-[4-(1-methylsulfonylethyl)phenyl]-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 139504206
(3S)-3-(2-chlorophenyl)-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118138933
3-(2-chlorophenyl)-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118138929
(3R)-3-(2-chlorophenyl)-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
CID 118153433
2-[5-[(3R)-3-(2-chlorophenyl)-5,10-difluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl]pyrimidin-2-yl]propan-2-ol
CID 144859224
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
11-bromo-3-[2-(difluoromethoxy)phenyl]-10-fluoro-5-oxo-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-4-carboxylic acid
CID 150899694
(1S)-7-bromo-1-(2-chlorophenyl)-6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
CID 118156430

Frequently Asked Questions

What is the IUPAC name of (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 139504207) is (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is Fc1cc2nc3c(n2cc1Br)[C@@H](c1ccccc1Cl)CC3.
What is the InChIKey of (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is BAFYTMJCURUCMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H11BrClFN2/c17-11-8-21-15(7-13(11)19)20-14-6-5-10(16(14)21)9-3-1-2-4-12(9)18/h1-4,7-8,10H,5-6H2/t10-/m1/s1.
What are the key properties of (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
(3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 365.63 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-11-bromo-3-(2-chlorophenyl)-10-fluoro-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 139504207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).