3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

C12H9Br2NO3 — CID 10761993

IUPAC3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(Br)=C(Br)C2=O)cc1
InChIInChI=1S/C12H9Br2NO3/c1-18-8-4-2-7(3-5-8)6-15-11(16)9(13)10(14)12(15)17/h2-5H,6H2,1H3
InChIKeyLOEGSEVHKMEEDE-UHFFFAOYSA-N
MW375.02 g/mol
LogP2.57
Rot. Bonds3

About 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 10761993) has the molecular formula C12H9Br2NO3 and a molecular weight of 375.02 g/mol. Its IUPAC name is 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID10761993
Molecular FormulaC12H9Br2NO3
Molecular Weight375.02 g/mol
Exact Mass372.89
IUPAC Name3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(Br)=C(Br)C2=O)cc1
InChIInChI=1S/C12H9Br2NO3/c1-18-8-4-2-7(3-5-8)6-15-11(16)9(13)10(14)12(15)17/h2-5H,6H2,1H3
InChIKeyLOEGSEVHKMEEDE-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592605
7-[(4-methoxyphenyl)methyl]-18-[(4-methylphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 164766706
3-ethylsulfanyl-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110555883
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
CID 121437389
1-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372263
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110581570
3-(4-methoxyanilino)-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600407

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 10761993) is 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(Br)=C(Br)C2=O)cc1.
What is the InChIKey of 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is LOEGSEVHKMEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO3/c1-18-8-4-2-7(3-5-8)6-15-11(16)9(13)10(14)12(15)17/h2-5H,6H2,1H3.
What are the key properties of 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 375.02 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 10761993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).