7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine

C18H16ClFN2O — CID 628896

IUPAC7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine
SMILESCOC1=C(C)N=C(c2ccccc2F)c2cc(Cl)ccc2N1C
InChIInChI=1S/C18H16ClFN2O/c1-11-18(23-3)22(2)16-9-8-12(19)10-14(16)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3
InChIKeySOSCQIBYACYFCT-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.60
Rot. Bonds2

About 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine

7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine (PubChem CID 628896) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine
PubChem CID628896
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine
SMILESCOC1=C(C)N=C(c2ccccc2F)c2cc(Cl)ccc2N1C
InChIInChI=1S/C18H16ClFN2O/c1-11-18(23-3)22(2)16-9-8-12(19)10-14(16)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3
InChIKeySOSCQIBYACYFCT-UHFFFAOYSA-N
XLogP4.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diazepam
CID 3016
Flurazepam
CID 3393
Halazepam
CID 31640
Medazepam
CID 4041
Fludiazepam
CID 3369
Flurazepam Hydrochloride
CID 14434
Flurazepam Monohydrochloride
CID 37368
1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-methyl-5-phenyl-, hydrochloride (1:1)
CID 12207008
Flutoprazepam
CID 3400
7-Chloro-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13450654
1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
CID 623112
2-Oxoquazepam
CID 93250

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine (CID 628896) is 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine is COC1=C(C)N=C(c2ccccc2F)c2cc(Cl)ccc2N1C.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine?
The InChIKey is SOSCQIBYACYFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-11-18(23-3)22(2)16-9-8-12(19)10-14(16)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine?
7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine has a molecular weight of 330.79 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluorophenyl)-2-methoxy-1,3-dimethyl-1,4-benzodiazepine is sourced from PubChem (CID 628896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).