N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide

C22H19N3O3 — CID 644432

IUPACN-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccco1
InChIInChI=1S/C22H19N3O3/c26-21(23-14-17-9-6-12-28-17)15-25-20-11-5-4-10-18(20)24-19(13-22(25)27)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26)
InChIKeyBHQHSHRTXIBEBJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide (PubChem CID 644432) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
PubChem CID644432
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccco1
InChIInChI=1S/C22H19N3O3/c26-21(23-14-17-9-6-12-28-17)15-25-20-11-5-4-10-18(20)24-19(13-22(25)27)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26)
InChIKeyBHQHSHRTXIBEBJ-UHFFFAOYSA-N
XLogP3.45
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide (CID 644432) is N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide is O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide?
The InChIKey is BHQHSHRTXIBEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(23-14-17-9-6-12-28-17)15-25-20-11-5-4-10-18(20)24-19(13-22(25)27)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 644432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).