N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide

C12H15N3O — CID 20503352

IUPACN-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide
SMILESCC(=O)NCC1CN=Cc2ccccc2N1
InChIInChI=1S/C12H15N3O/c1-9(16)14-8-11-7-13-6-10-4-2-3-5-12(10)15-11/h2-6,11,15H,7-8H2,1H3,(H,14,16)
InChIKeyBIUIILLKOHTYMF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.04
Rot. Bonds2

About N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide

N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide (PubChem CID 20503352) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide
PubChem CID20503352
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide
SMILESCC(=O)NCC1CN=Cc2ccccc2N1
InChIInChI=1S/C12H15N3O/c1-9(16)14-8-11-7-13-6-10-4-2-3-5-12(10)15-11/h2-6,11,15H,7-8H2,1H3,(H,14,16)
InChIKeyBIUIILLKOHTYMF-UHFFFAOYSA-N
XLogP1.04
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide (CID 20503352) is N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide is CC(=O)NCC1CN=Cc2ccccc2N1.
What is the InChIKey of N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide?
The InChIKey is BIUIILLKOHTYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(16)14-8-11-7-13-6-10-4-2-3-5-12(10)15-11/h2-6,11,15H,7-8H2,1H3,(H,14,16).
What are the key properties of N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide?
N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-1,4-benzodiazepin-2-ylmethyl)acetamide is sourced from PubChem (CID 20503352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).