4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

C18H19FN2 — CID 19784499

IUPAC4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccc(F)cc2C)N1C
InChIInChI=1S/C18H19FN2/c1-12-10-15(19)8-9-16(12)18-11-14-6-4-5-7-17(14)20-13(2)21(18)3/h4-10,18H,11H2,1-3H3
InChIKeyQKTCNXZHLBVRTF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.41
Rot. Bonds1

About 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 19784499) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID19784499
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCC1=Nc2ccccc2CC(c2ccc(F)cc2C)N1C
InChIInChI=1S/C18H19FN2/c1-12-10-15(19)8-9-16(12)18-11-14-6-4-5-7-17(14)20-13(2)21(18)3/h4-10,18H,11H2,1-3H3
InChIKeyQKTCNXZHLBVRTF-UHFFFAOYSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (CID 19784499) is 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is CC1=Nc2ccccc2CC(c2ccc(F)cc2C)N1C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is QKTCNXZHLBVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-12-10-15(19)8-9-16(12)18-11-14-6-4-5-7-17(14)20-13(2)21(18)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 282.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 19784499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).