3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione

C15H16Br2N2O2 — CID 64965325

IUPAC3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C15H16Br2N2O2/c1-15(9-2-3-9)14(21)19(7-6-13(20)18-15)12-5-4-10(16)8-11(12)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyJLXDTOKCTCWLSI-UHFFFAOYSA-N
MW416.11 g/mol
LogP3.23
Rot. Bonds2

About 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione

3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64965325) has the molecular formula C15H16Br2N2O2 and a molecular weight of 416.11 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64965325
Molecular FormulaC15H16Br2N2O2
Molecular Weight416.11 g/mol
Exact Mass413.96
IUPAC Name3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C15H16Br2N2O2/c1-15(9-2-3-9)14(21)19(7-6-13(20)18-15)12-5-4-10(16)8-11(12)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyJLXDTOKCTCWLSI-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959920
1-(2-chloro-4-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64961517
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186
1-(2-bromo-6-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107604113
1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64962875
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
1-(2-bromo-4-chlorophenyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 81256348
1-(2,4-dibromophenyl)imidazolidine-2,4-dione
CID 79777774
8-bromo-10,10,10a-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 3604002
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883611
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione (CID 64965325) is 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione is CC1(C2CC2)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is JLXDTOKCTCWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O2/c1-15(9-2-3-9)14(21)19(7-6-13(20)18-15)12-5-4-10(16)8-11(12)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 416.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64965325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).