4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one

C23H21ClN2O — CID 4303603

IUPAC4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one
SMILESO=C1c2ccccc2CN(CCc2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O/c24-20-10-12-21(13-11-20)26-17-25(15-14-18-6-2-1-3-7-18)16-19-8-4-5-9-22(19)23(26)27/h1-13H,14-17H2
InChIKeyLEUWDFMNSYKGAL-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.00
Rot. Bonds4

About 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one

4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one (PubChem CID 4303603) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one
PubChem CID4303603
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one
SMILESO=C1c2ccccc2CN(CCc2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O/c24-20-10-12-21(13-11-20)26-17-25(15-14-18-6-2-1-3-7-18)16-19-8-4-5-9-22(19)23(26)27/h1-13H,14-17H2
InChIKeyLEUWDFMNSYKGAL-UHFFFAOYSA-N
XLogP5.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one (CID 4303603) is 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one is O=C1c2ccccc2CN(CCc2ccccc2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one?
The InChIKey is LEUWDFMNSYKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-20-10-12-21(13-11-20)26-17-25(15-14-18-6-2-1-3-7-18)16-19-8-4-5-9-22(19)23(26)27/h1-13H,14-17H2.
What are the key properties of 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one?
4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one has a molecular weight of 376.89 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-phenylethyl)-1,3-dihydro-2,4-benzodiazepin-5-one is sourced from PubChem (CID 4303603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).