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

C20H15N3O3 — CID 11695892

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C20H15N3O3/c24-19(16-11-6-12-26-16)23-18-20(25)21-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h1-12,18H,(H,21,25)(H,23,24)
InChIKeyGLKYCYCXGFCQDV-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.83
Rot. Bonds3

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

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide (PubChem CID 11695892) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
PubChem CID11695892
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C20H15N3O3/c24-19(16-11-6-12-26-16)23-18-20(25)21-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h1-12,18H,(H,21,25)(H,23,24)
InChIKeyGLKYCYCXGFCQDV-UHFFFAOYSA-N
XLogP2.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2645969
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CID 3644361
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CID 4875841
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CID 24817658
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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide (CID 11695892) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccco1.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
The InChIKey is GLKYCYCXGFCQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(16-11-6-12-26-16)23-18-20(25)21-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h1-12,18H,(H,21,25)(H,23,24).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 11695892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).