(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone

C18H16BrNO — CID 24725532

IUPAC(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CN1CC=CC1
InChIInChI=1S/C18H16BrNO/c19-16-8-5-7-14(12-16)18(21)17-9-2-1-6-15(17)13-20-10-3-4-11-20/h1-9,12H,10-11,13H2
InChIKeySEOBFOHKAQYQKQ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.05
Rot. Bonds4

About (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone

(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone (PubChem CID 24725532) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
PubChem CID24725532
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CN1CC=CC1
InChIInChI=1S/C18H16BrNO/c19-16-8-5-7-14(12-16)18(21)17-9-2-1-6-15(17)13-20-10-3-4-11-20/h1-9,12H,10-11,13H2
InChIKeySEOBFOHKAQYQKQ-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
CID 24725519
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone (CID 24725532) is (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Br)c1)c1ccccc1CN1CC=CC1.
What is the InChIKey of (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The InChIKey is SEOBFOHKAQYQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-16-8-5-7-14(12-16)18(21)17-9-2-1-6-15(17)13-20-10-3-4-11-20/h1-9,12H,10-11,13H2.
What are the key properties of (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone has a molecular weight of 342.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).