(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene

C20H18Cl3N — CID 135071050

IUPAC(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
SMILESClc1ccc(C2Nc3c(Cl)cccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1Cl
InChIInChI=1S/C20H18Cl3N/c21-14-7-6-12(9-16(14)23)19-18-11-5-4-10(8-11)17(18)13-2-1-3-15(22)20(13)24-19/h1-3,6-7,9-11,17-19,24H,4-5,8H2/t10-,11+,17-,18-,19?/m1/s1
InChIKeyDXEBWIPBOBVYAM-IIHJSRCDSA-N
MW378.73 g/mol
LogP6.94
Rot. Bonds1

About (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene

(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene (PubChem CID 135071050) has the molecular formula C20H18Cl3N and a molecular weight of 378.73 g/mol. Its IUPAC name is (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene.

Molecular Properties

Compound Name(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
PubChem CID135071050
Molecular FormulaC20H18Cl3N
Molecular Weight378.73 g/mol
Exact Mass377.05
IUPAC Name(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
SMILESClc1ccc(C2Nc3c(Cl)cccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1Cl
InChIInChI=1S/C20H18Cl3N/c21-14-7-6-12(9-16(14)23)19-18-11-5-4-10(8-11)17(18)13-2-1-3-15(22)20(13)24-19/h1-3,6-7,9-11,17-19,24H,4-5,8H2/t10-,11+,17-,18-,19?/m1/s1
InChIKeyDXEBWIPBOBVYAM-IIHJSRCDSA-N
XLogP6.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene 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 (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene?
The IUPAC name of (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene (CID 135071050) is (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene.
What is the SMILES notation for (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene?
The canonical SMILES for (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene is Clc1ccc(C2Nc3c(Cl)cccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1Cl.
What is the InChIKey of (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene?
The InChIKey is DXEBWIPBOBVYAM-IIHJSRCDSA-N. The full InChI is InChI=1S/C20H18Cl3N/c21-14-7-6-12(9-16(14)23)19-18-11-5-4-10(8-11)17(18)13-2-1-3-15(22)20(13)24-19/h1-3,6-7,9-11,17-19,24H,4-5,8H2/t10-,11+,17-,18-,19?/m1/s1.
What are the key properties of (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene?
(1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene has a molecular weight of 378.73 g/mol, XLogP of 6.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,11R,12S)-7-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene is sourced from PubChem (CID 135071050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).