1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione

C12H10Cl2N2O3 — CID 56697545

IUPAC1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESCC(=O)N1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H10Cl2N2O3/c1-7(17)15-5-4-11(18)16(12(15)19)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3
InChIKeyRYVJONZAXMIHGW-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.70
Rot. Bonds1

About 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione

1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 56697545) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID56697545
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESCC(=O)N1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H10Cl2N2O3/c1-7(17)15-5-4-11(18)16(12(15)19)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3
InChIKeyRYVJONZAXMIHGW-UHFFFAOYSA-N
XLogP2.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 107653735
(1R,2S,6S,7R)-4-(2,4-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98120846
1,3-diacetyl-1,3-diazinane-2,4-dione
CID 54212586
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 19425383
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 163511502
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 682977
2-aminoacetic acid;1-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 162261787
1-(7-chloro-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
CID 141146228

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione (CID 56697545) is 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione is CC(=O)N1CCC(=O)N(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is RYVJONZAXMIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-7(17)15-5-4-11(18)16(12(15)19)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione?
1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 301.13 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 56697545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).