1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione

C14H16Cl2N2O2 — CID 107653735

IUPAC1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESCC(C)(C)N1CCC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-14(2,3)17-7-6-12(19)18(13(17)20)11-8-9(15)4-5-10(11)16/h4-5,8H,6-7H2,1-3H3
InChIKeyBKJSIDMJQPKHBZ-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.95
Rot. Bonds1

About 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione

1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 107653735) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID107653735
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESCC(C)(C)N1CCC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-14(2,3)17-7-6-12(19)18(13(17)20)11-8-9(15)4-5-10(11)16/h4-5,8H,6-7H2,1-3H3
InChIKeyBKJSIDMJQPKHBZ-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 60837921
1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 56697545
1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
1-tert-butyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 79257527
1-(2,5-dichlorophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016966
4-chloro-3-(2,7-dioxoazepan-1-yl)benzoic acid
CID 43446726
7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 163511502
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
4-bromo-5-cyclopropyl-2-(2,5-dichlorophenyl)-1-methylpyrazol-3-one
CID 68678589
(1R,2R,6S,7S)-4-(2,5-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871846
(3aS,5R,7aS)-2-(2,5-dichlorophenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124713079
5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 106702974

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione (CID 107653735) is 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione is CC(C)(C)N1CCC(=O)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is BKJSIDMJQPKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-14(2,3)17-7-6-12(19)18(13(17)20)11-8-9(15)4-5-10(11)16/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione?
1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 315.20 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 107653735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).