4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide

C22H19N3O3 — CID 5279385

IUPAC4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
SMILESCc1cc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C
InChIInChI=1S/C22H19N3O3/c1-13-12-18(28-14(13)2)21(26)25-20-22(27)23-17-11-7-6-10-16(17)19(24-20)15-8-4-3-5-9-15/h3-12,20H,1-2H3,(H,23,27)(H,25,26)
InChIKeyFCBSUZOSPAIZHX-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.44
Rot. Bonds3

About 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide

4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide (PubChem CID 5279385) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
PubChem CID5279385
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
SMILESCc1cc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C
InChIInChI=1S/C22H19N3O3/c1-13-12-18(28-14(13)2)21(26)25-20-22(27)23-17-11-7-6-10-16(17)19(24-20)15-8-4-3-5-9-15/h3-12,20H,1-2H3,(H,23,27)(H,25,26)
InChIKeyFCBSUZOSPAIZHX-UHFFFAOYSA-N
XLogP3.44
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
Furan-2-carboxamide deriv., 13
CID 44236899
N-[2-(1-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 2882354
Furan-2-carboxylic acid (2-oxo-1,2-dihydro-quinolin-4-ylmethyl)-p-tolyl-amide
CID 648038
N-2-furoyl-N-(4-methylphenyl)phenylalaninamide
CID 2955621
Furan-2-carboxylic acid {2-[3-(2,6-diisopropyl-phenyl)-ureido]-1-phenyl-ethyl}-amide
CID 9980320
1,3-Dihydro-5-(2-fluorophenyl)-3-(RS)-(2-benzofurancarbonylamino)-2H-1,4-benzodiazepin-2-one
CID 14208210
N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-4-methoxy-benzamide
CID 14208254
4-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279108
N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide
CID 11603310
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
CID 11695892

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide (CID 5279385) is 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide is Cc1cc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)oc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The InChIKey is FCBSUZOSPAIZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-13-12-18(28-14(13)2)21(26)25-20-22(27)23-17-11-7-6-10-16(17)19(24-20)15-8-4-3-5-9-15/h3-12,20H,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 5279385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).