2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide

C26H24FN3O3 — CID 10551320

IUPAC2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3/c1-18(2)29(21-14-12-19(27)13-15-21)26(33)17-28-22-10-6-7-11-23(22)30(25(32)16-24(28)31)20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3
InChIKeyIMNKHRFFKUIYRV-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.67
Rot. Bonds5

About 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide

2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 10551320) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID10551320
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3/c1-18(2)29(21-14-12-19(27)13-15-21)26(33)17-28-22-10-6-7-11-23(22)30(25(32)16-24(28)31)20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3
InChIKeyIMNKHRFFKUIYRV-UHFFFAOYSA-N
XLogP4.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide (CID 10551320) is 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is IMNKHRFFKUIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-18(2)29(21-14-12-19(27)13-15-21)26(33)17-28-22-10-6-7-11-23(22)30(25(32)16-24(28)31)20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3.
What are the key properties of 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 445.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-(4-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 10551320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).