2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide

C19H19N3O3 — CID 118985657

IUPAC2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CC1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3/c1-2-12-7-3-5-9-14(12)20-17(23)11-16-19(25)21-15-10-6-4-8-13(15)18(24)22-16/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyLCUOEGBZIKGGIE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 118985657) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide
PubChem CID118985657
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CC1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3/c1-2-12-7-3-5-9-14(12)20-17(23)11-16-19(25)21-15-10-6-4-8-13(15)18(24)22-16/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyLCUOEGBZIKGGIE-UHFFFAOYSA-N
XLogP2.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 51836525
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-quinolin-8-ylacetamide
CID 110206722
N-(1,5-dimethylpyrazol-4-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 98207426
2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
CID 1183778
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71825841
N-(5-bromo-2-pyridinyl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 126417443
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 51833856
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 52905317
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 110207461
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 90489229
N-(5-chloro-2-pyridinyl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 122170063
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97263551

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide (CID 118985657) is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CC1NC(=O)c2ccccc2NC1=O.
What is the InChIKey of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide?
The InChIKey is LCUOEGBZIKGGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-12-7-3-5-9-14(12)20-17(23)11-16-19(25)21-15-10-6-4-8-13(15)18(24)22-16/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide?
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 118985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).