N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

C17H15F2N3O2 — CID 2814488

IUPACN-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O2/c1-10-8-16(23)20-14-4-2-3-5-15(14)22(10)17(24)21-13-7-6-11(18)9-12(13)19/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyNZRUYAXFMIVBDN-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.73
Rot. Bonds1

About N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 2814488) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID2814488
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O2/c1-10-8-16(23)20-14-4-2-3-5-15(14)22(10)17(24)21-13-7-6-11(18)9-12(13)19/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyNZRUYAXFMIVBDN-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 2814488) is N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is CC1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is NZRUYAXFMIVBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-10-8-16(23)20-14-4-2-3-5-15(14)22(10)17(24)21-13-7-6-11(18)9-12(13)19/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 2814488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).