(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone

C19H17BrN2O2 — CID 2991840

IUPAC(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17BrN2O2/c20-15-6-7-17-14(12-15)13-18(24-17)19(23)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2
InChIKeySWVULEOCNJUXEN-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.16
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2991840) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2991840
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17BrN2O2/c20-15-6-7-17-14(12-15)13-18(24-17)19(23)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2
InChIKeySWVULEOCNJUXEN-UHFFFAOYSA-N
XLogP4.16
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Befuraline
CID 68664
Befuraline hydrochloride
CID 73346
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
8-Bromanyl-2-[(4-Methylpiperazin-1-Yl)methyl]-3h-[1]benzofuro[3,2-D]pyrimidin-4-One
CID 135566647
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 9982854
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)-1,2,3,4-tetrahydroquinoline
CID 888386
Benzofuran-2-yl(indolin-1-yl)methanone
CID 780029

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 2991840) is (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SWVULEOCNJUXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c20-15-6-7-17-14(12-15)13-18(24-17)19(23)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,12-13H,8-11H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 385.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).