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

C18H18FN3O2 — CID 2814486

IUPACN-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1c2ccccc2NC(=O)CC1C
InChIInChI=1S/C18H18FN3O2/c1-11-7-8-13(19)10-15(11)21-18(24)22-12(2)9-17(23)20-14-5-3-4-6-16(14)22/h3-8,10,12H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYJSDYMAQRHEBGF-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.90
Rot. Bonds1

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

N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 2814486) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID2814486
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1c2ccccc2NC(=O)CC1C
InChIInChI=1S/C18H18FN3O2/c1-11-7-8-13(19)10-15(11)21-18(24)22-12(2)9-17(23)20-14-5-3-4-6-16(14)22/h3-8,10,12H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYJSDYMAQRHEBGF-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 2814486) is N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is Cc1ccc(F)cc1NC(=O)N1c2ccccc2NC(=O)CC1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is YJSDYMAQRHEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-7-8-13(19)10-15(11)21-18(24)22-12(2)9-17(23)20-14-5-3-4-6-16(14)22/h3-8,10,12H,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 2814486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).