N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide

C14H16ClN3O3 — CID 74925233

IUPACN-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
SMILESCC1NC(=O)NC(=O)C1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-8-10(13(20)18-14(21)17-8)6-12(19)16-7-9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyOGBRTPJRCFUXJG-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.19
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide (PubChem CID 74925233) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
PubChem CID74925233
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
SMILESCC1NC(=O)NC(=O)C1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-8-10(13(20)18-14(21)17-8)6-12(19)16-7-9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyOGBRTPJRCFUXJG-UHFFFAOYSA-N
XLogP1.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097267
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99955993
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide (CID 74925233) is N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide is CC1NC(=O)NC(=O)C1CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The InChIKey is OGBRTPJRCFUXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-10(13(20)18-14(21)17-8)6-12(19)16-7-9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide has a molecular weight of 309.75 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide is sourced from PubChem (CID 74925233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).