1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one

C17H11Br2NO — CID 155512280

IUPAC1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1cccc(Br)c1
InChIInChI=1S/C17H11Br2NO/c1-11-16(12-5-7-13(18)8-6-12)10-17(21)20(11)15-4-2-3-14(19)9-15/h2-10H,1H2
InChIKeySIACXEDOFYCNDY-UHFFFAOYSA-N
MW405.09 g/mol
LogP5.16
Rot. Bonds2

About 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one

1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one (PubChem CID 155512280) has the molecular formula C17H11Br2NO and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one
PubChem CID155512280
Molecular FormulaC17H11Br2NO
Molecular Weight405.09 g/mol
Exact Mass402.92
IUPAC Name1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1C(c2ccc(Br)cc2)=CC(=O)N1c1cccc(Br)c1
InChIInChI=1S/C17H11Br2NO/c1-11-16(12-5-7-13(18)8-6-12)10-17(21)20(11)15-4-2-3-14(19)9-15/h2-10H,1H2
InChIKeySIACXEDOFYCNDY-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.09
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one (CID 155512280) is 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one is C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is SIACXEDOFYCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2NO/c1-11-16(12-5-7-13(18)8-6-12)10-17(21)20(11)15-4-2-3-14(19)9-15/h2-10H,1H2.
What are the key properties of 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one?
1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 405.09 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(4-bromophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 155512280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).