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

C24H23N3O — CID 10883143

IUPACN-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)
InChIKeyYDJIOVNVJAFPLG-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.14
Rot. Bonds5

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

N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide (PubChem CID 10883143) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
PubChem CID10883143
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)
InChIKeyYDJIOVNVJAFPLG-UHFFFAOYSA-N
XLogP4.14
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide (CID 10883143) is N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide is O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1.
What is the InChIKey of N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The InChIKey is YDJIOVNVJAFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28).
What are the key properties of N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide?
N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl]benzamide is sourced from PubChem (CID 10883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).