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

C22H15Cl2N3O2 — CID 67868995

IUPAC3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=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)/t20-/m1/s1
InChIKeySLKXASVZRYFIDY-HXUWFJFHSA-N
MW424.29 g/mol
LogP4.54
Rot. Bonds3

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

3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 67868995) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID67868995
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=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)/t20-/m1/s1
InChIKeySLKXASVZRYFIDY-HXUWFJFHSA-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

Analyze 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 67868995) is 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is SLKXASVZRYFIDY-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
3,4-dichloro-N-[(3S)-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-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 67868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).