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

C26H19N3O2 — CID 14208215

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12
InChIInChI=1S/C26H19N3O2/c30-25(20-15-8-12-17-9-4-5-13-19(17)20)29-24-26(31)27-22-16-7-6-14-21(22)23(28-24)18-10-2-1-3-11-18/h1-16,24H,(H,27,31)(H,29,30)
InChIKeyBKVDDRUPSUWQNR-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.39
Rot. Bonds3

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

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide (PubChem CID 14208215) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
PubChem CID14208215
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12
InChIInChI=1S/C26H19N3O2/c30-25(20-15-8-12-17-9-4-5-13-19(17)20)29-24-26(31)27-22-16-7-6-14-21(22)23(28-24)18-10-2-1-3-11-18/h1-16,24H,(H,27,31)(H,29,30)
InChIKeyBKVDDRUPSUWQNR-UHFFFAOYSA-N
XLogP4.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)naphthalene-1-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide (CID 14208215) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide?
The InChIKey is BKVDDRUPSUWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25(20-15-8-12-17-9-4-5-13-19(17)20)29-24-26(31)27-22-16-7-6-14-21(22)23(28-24)18-10-2-1-3-11-18/h1-16,24H,(H,27,31)(H,29,30).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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)naphthalene-1-carboxamide is sourced from PubChem (CID 14208215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).