3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C22H15Cl2N3O2 — CID 5279119

IUPAC3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c23-16-11-10-14(12-17(16)24)21(28)27-20-22(29)25-18-9-5-4-8-15(18)19(26-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H,27,28)
InChIKeySLKXASVZRYFIDY-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.54
Rot. Bonds3

About 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279119) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279119
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c23-16-11-10-14(12-17(16)24)21(28)27-20-22(29)25-18-9-5-4-8-15(18)19(26-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H,27,28)
InChIKeySLKXASVZRYFIDY-UHFFFAOYSA-N
XLogP4.54
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279119) is 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is SLKXASVZRYFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2/c23-16-11-10-14(12-17(16)24)21(28)27-20-22(29)25-18-9-5-4-8-15(18)19(26-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H,27,28).
What are the key properties of 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 424.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).