2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide

C26H23Cl2N3O2 — CID 10600764

IUPAC2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-21(22)24(18-8-4-3-5-9-18)30-25(26(31)33)29-23(32)14-17-12-19(27)15-20(28)13-17/h3-13,15-16,25H,14H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyGKJNQGDEJDRAPR-RUZDIDTESA-N
MW480.40 g/mol
LogP5.27
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide

2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide (PubChem CID 10600764) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide
PubChem CID10600764
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC Name2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-21(22)24(18-8-4-3-5-9-18)30-25(26(31)33)29-23(32)14-17-12-19(27)15-20(28)13-17/h3-13,15-16,25H,14H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyGKJNQGDEJDRAPR-RUZDIDTESA-N
XLogP5.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide (CID 10600764) is 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide is CC(C)N1C(=O)[C@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide?
The InChIKey is GKJNQGDEJDRAPR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-16(2)31-22-11-7-6-10-21(22)24(18-8-4-3-5-9-18)30-25(26(31)33)29-23(32)14-17-12-19(27)15-20(28)13-17/h3-13,15-16,25H,14H2,1-2H3,(H,29,32)/t25-/m1/s1.
What are the key properties of 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide?
2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide has a molecular weight of 480.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-[(3R)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]acetamide is sourced from PubChem (CID 10600764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).