7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine

C17H14ClF3N2 — CID 21317104

IUPAC7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
SMILESFC(F)(F)CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H14ClF3N2/c18-13-6-7-15-14(10-13)16(12-4-2-1-3-5-12)22-8-9-23(15)11-17(19,20)21/h1-7,10H,8-9,11H2
InChIKeyWNRBQISYMXZTMQ-UHFFFAOYSA-N
MW338.76 g/mol
LogP4.56
Rot. Bonds2

About 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine

7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine (PubChem CID 21317104) has the molecular formula C17H14ClF3N2 and a molecular weight of 338.76 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
PubChem CID21317104
Molecular FormulaC17H14ClF3N2
Molecular Weight338.76 g/mol
Exact Mass338.08
IUPAC Name7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
SMILESFC(F)(F)CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H14ClF3N2/c18-13-6-7-15-14(10-13)16(12-4-2-1-3-5-12)22-8-9-23(15)11-17(19,20)21/h1-7,10H,8-9,11H2
InChIKeyWNRBQISYMXZTMQ-UHFFFAOYSA-N
XLogP4.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine 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 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine (CID 21317104) is 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine is FC(F)(F)CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is WNRBQISYMXZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2/c18-13-6-7-15-14(10-13)16(12-4-2-1-3-5-12)22-8-9-23(15)11-17(19,20)21/h1-7,10H,8-9,11H2.
What are the key properties of 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine?
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 338.76 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 21317104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).