(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

C21H12BrCl2NO2 — CID 57081637

IUPAC(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)c1c(-c2ccccc2)c(Br)c2ccccn12
InChIInChI=1S/C21H12BrCl2NO2/c22-18-16-8-4-5-9-25(16)19(17(18)12-6-2-1-3-7-12)20(26)13-10-14(23)21(27)15(24)11-13/h1-11,27H
InChIKeyDWOVYRJPQLIVJE-UHFFFAOYSA-N
MW461.14 g/mol
LogP6.61
Rot. Bonds3

About (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (PubChem CID 57081637) has the molecular formula C21H12BrCl2NO2 and a molecular weight of 461.14 g/mol. Its IUPAC name is (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
PubChem CID57081637
Molecular FormulaC21H12BrCl2NO2
Molecular Weight461.14 g/mol
Exact Mass458.94
IUPAC Name(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)c1c(-c2ccccc2)c(Br)c2ccccn12
InChIInChI=1S/C21H12BrCl2NO2/c22-18-16-8-4-5-9-25(16)19(17(18)12-6-2-1-3-7-12)20(26)13-10-14(23)21(27)15(24)11-13/h1-11,27H
InChIKeyDWOVYRJPQLIVJE-UHFFFAOYSA-N
XLogP6.61
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.14
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 13400082
[1-bromo-2-(4-bromophenyl)indolizin-3-yl]-[3-chloro-4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 13069392
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
CID 10689548
(1-chloro-2-phenylindolizin-3-yl)-[3,5-dibromo-4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 13069406
3-(1-bromo-2-methylindolizine-3-carbonyl)benzoic acid
CID 174680935
1-[3-(4-phenylbenzoyl)-2-(4-phenylphenyl)indolizin-1-yl]pyridin-2-one
CID 175736213
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
phenacyl 2-hydroxy-1-phenylindolizine-3-carbodithioate
CID 135528773
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
[3-bromo-4-[3-(dibutylamino)propoxy]phenyl]-(1-methoxy-2-phenylindolizin-3-yl)methanone
CID 13069439
cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
CID 132941529

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The IUPAC name of (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (CID 57081637) is (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)c1c(-c2ccccc2)c(Br)c2ccccn12.
What is the InChIKey of (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The InChIKey is DWOVYRJPQLIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrCl2NO2/c22-18-16-8-4-5-9-25(16)19(17(18)12-6-2-1-3-7-12)20(26)13-10-14(23)21(27)15(24)11-13/h1-11,27H.
What are the key properties of (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone has a molecular weight of 461.14 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 57081637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).