4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide

C25H24FN3O — CID 66778062

IUPAC4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C1CN=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C25H24FN3O/c1-17(28-25(30)19-12-14-20(26)15-13-19)23-16-27-24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)29(23)2/h3-15,17,23H,16H2,1-2H3,(H,28,30)
InChIKeyVUGURARYTADELE-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.30
Rot. Bonds4

About 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide

4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide (PubChem CID 66778062) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
PubChem CID66778062
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C1CN=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C25H24FN3O/c1-17(28-25(30)19-12-14-20(26)15-13-19)23-16-27-24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)29(23)2/h3-15,17,23H,16H2,1-2H3,(H,28,30)
InChIKeyVUGURARYTADELE-UHFFFAOYSA-N
XLogP4.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide (CID 66778062) is 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1)C1CN=C(c2ccccc2)c2ccccc2N1C.
What is the InChIKey of 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The InChIKey is VUGURARYTADELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-17(28-25(30)19-12-14-20(26)15-13-19)23-16-27-24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)29(23)2/h3-15,17,23H,16H2,1-2H3,(H,28,30).
What are the key properties of 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide is sourced from PubChem (CID 66778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).