(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate

C18H16N2O3 — CID 3763028

IUPAC(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
SMILESCC(=O)OC1N=C(c2ccccc2)c2cc(C)ccc2NC1=O
InChIInChI=1S/C18H16N2O3/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)20-18(17(22)19-15)23-12(2)21/h3-10,18H,1-2H3,(H,19,22)
InChIKeyCLCSWKDWCNVVNK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds2

About (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate

(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate (PubChem CID 3763028) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate.

Molecular Properties

Compound Name(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
PubChem CID3763028
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
SMILESCC(=O)OC1N=C(c2ccccc2)c2cc(C)ccc2NC1=O
InChIInChI=1S/C18H16N2O3/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)20-18(17(22)19-15)23-12(2)21/h3-10,18H,1-2H3,(H,19,22)
InChIKeyCLCSWKDWCNVVNK-UHFFFAOYSA-N
XLogP2.67
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(+-)-Oxazepam acetate
CID 102697
Lorazepam acetate
CID 17836
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
3-Hydroxy-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 614001
3-(Acetyloxy)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13604320
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
Acetic acid 7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
CID 627336
Stk563490
CID 661451
Propanoic acid, 2,2-dimethyl-, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl ester
CID 68722
N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 4231220
5-Phenyl-7-vinyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 44366036
rac-7-bromo-3-(2-methoxyethoxy)-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
CID 46193495

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate?
The IUPAC name of (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate (CID 3763028) is (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate.
What is the SMILES notation for (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate?
The canonical SMILES for (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate is CC(=O)OC1N=C(c2ccccc2)c2cc(C)ccc2NC1=O.
What is the InChIKey of (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate?
The InChIKey is CLCSWKDWCNVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)20-18(17(22)19-15)23-12(2)21/h3-10,18H,1-2H3,(H,19,22).
What are the key properties of (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate?
(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate has a molecular weight of 308.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate is sourced from PubChem (CID 3763028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).