(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine

C19H16ClFN2O2 — CID 143847590

IUPAC(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine
SMILESC/C=C1\N=C(c2ccccc2Cl)c2cc(F)c(OC)cc2N=C1OC
InChIInChI=1S/C19H16ClFN2O2/c1-4-15-19(25-3)23-16-10-17(24-2)14(21)9-12(16)18(22-15)11-7-5-6-8-13(11)20/h4-10H,1-3H3/b15-4-
InChIKeyUIAXZADTVHKSIN-TVPGTPATSA-N
MW358.80 g/mol
LogP4.92
Rot. Bonds2

About (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine

(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine (PubChem CID 143847590) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine.

Molecular Properties

Compound Name(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine
PubChem CID143847590
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine
SMILESC/C=C1\N=C(c2ccccc2Cl)c2cc(F)c(OC)cc2N=C1OC
InChIInChI=1S/C19H16ClFN2O2/c1-4-15-19(25-3)23-16-10-17(24-2)14(21)9-12(16)18(22-15)11-7-5-6-8-13(11)20/h4-10H,1-3H3/b15-4-
InChIKeyUIAXZADTVHKSIN-TVPGTPATSA-N
XLogP4.92
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine?
The IUPAC name of (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine (CID 143847590) is (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine.
What is the SMILES notation for (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine?
The canonical SMILES for (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine is C/C=C1\N=C(c2ccccc2Cl)c2cc(F)c(OC)cc2N=C1OC.
What is the InChIKey of (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine?
The InChIKey is UIAXZADTVHKSIN-TVPGTPATSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-4-15-19(25-3)23-16-10-17(24-2)14(21)9-12(16)18(22-15)11-7-5-6-8-13(11)20/h4-10H,1-3H3/b15-4-.
What are the key properties of (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine?
(3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine has a molecular weight of 358.80 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2-chlorophenyl)-3-ethylidene-7-fluoro-2,8-dimethoxy-1,4-benzodiazepine is sourced from PubChem (CID 143847590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).