4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

C24H21FN4O2 — CID 14208255

IUPAC4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESCN(C)c1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C24H21FN4O2/c1-29(2)16-13-11-15(12-14-16)23(30)28-22-24(31)26-20-10-6-4-8-18(20)21(27-22)17-7-3-5-9-19(17)25/h3-14,22H,1-2H3,(H,26,31)(H,28,30)
InChIKeyRRJLGYHZAPEZCP-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.44
Rot. Bonds4

About 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 14208255) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID14208255
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESCN(C)c1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C24H21FN4O2/c1-29(2)16-13-11-15(12-14-16)23(30)28-22-24(31)26-20-10-6-4-8-18(20)21(27-22)17-7-3-5-9-19(17)25/h3-14,22H,1-2H3,(H,26,31)(H,28,30)
InChIKeyRRJLGYHZAPEZCP-UHFFFAOYSA-N
XLogP3.44
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-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 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 14208255) is 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is CN(C)c1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is RRJLGYHZAPEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29(2)16-13-11-15(12-14-16)23(30)28-22-24(31)26-20-10-6-4-8-18(20)21(27-22)17-7-3-5-9-19(17)25/h3-14,22H,1-2H3,(H,26,31)(H,28,30).
What are the key properties of 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 14208255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).