2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid

C23H15Cl3N2O4 — CID 10278053

IUPAC2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl3N2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-11-16(26)9-10-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)
InChIKeyBGVUXEXHNXDISI-UHFFFAOYSA-N
MW489.74 g/mol
LogP5.61
Rot. Bonds4

About 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid

2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid (PubChem CID 10278053) has the molecular formula C23H15Cl3N2O4 and a molecular weight of 489.74 g/mol. Its IUPAC name is 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid
PubChem CID10278053
Molecular FormulaC23H15Cl3N2O4
Molecular Weight489.74 g/mol
Exact Mass488.01
IUPAC Name2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl3N2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-11-16(26)9-10-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)
InChIKeyBGVUXEXHNXDISI-UHFFFAOYSA-N
XLogP5.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.74
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[8-chloro-3-(4-fluorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-fluorophenyl)acetate
CID 71506461
2-[7-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]acetamide
CID 87716158
2-[7-bromo-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid
CID 22046770
2-[7-(3-chlorophenyl)-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid
CID 22046818
2-[7-tert-butyl-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid
CID 22046768
2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 10218786
methyl 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,5-dioxo-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]acetate
CID 71506656
2-[3-(4-chlorophenyl)-7-(furan-3-yl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid
CID 22046745
2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid
CID 22046856
methyl 2-[3-(4-chlorophenyl)-2,5-dioxo-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-fluorophenyl)acetate
CID 71506657
(3S)-7-acetyl-3-(4-chlorophenyl)-4-[(1R)-1-(4-chlorophenyl)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 21060019
2-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenylacetic acid
CID 22046758

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid (CID 10278053) is 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid is O=C(O)C(c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid?
The InChIKey is BGVUXEXHNXDISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-11-16(26)9-10-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32).
What are the key properties of 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid?
2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid has a molecular weight of 489.74 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-3-(4-chlorophenyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 10278053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).