N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide

C18H16ClN3O3 — CID 46365483

IUPACN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O
InChIInChI=1S/C18H16ClN3O3/c1-21-11-17(24)22(15-5-3-2-4-14(15)18(21)25)10-16(23)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyFRZYBABXHFXDDF-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.40
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 46365483) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID46365483
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O
InChIInChI=1S/C18H16ClN3O3/c1-21-11-17(24)22(15-5-3-2-4-14(15)18(21)25)10-16(23)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyFRZYBABXHFXDDF-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide
CID 46365556
N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365546
3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanoic acid
CID 10849046
N-(4-chlorophenyl)-2-[(3R)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 96564219
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71829706
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
N-(4-chlorophenyl)-2-[3-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
CID 3414282
4-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepine-2,5-dione
CID 46365504
2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]-N-(4-chlorophenyl)acetamide
CID 50741405
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9188385
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide (CID 46365483) is N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is FRZYBABXHFXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-21-11-17(24)22(15-5-3-2-4-14(15)18(21)25)10-16(23)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 46365483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).