[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone

C17H15BrClNO3 — CID 71096055

IUPAC[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)cc1O)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO3/c18-11-5-3-10(4-6-11)14-2-1-7-20(14)17(23)12-8-13(19)16(22)9-15(12)21/h3-6,8-9,14,21-22H,1-2,7H2
InChIKeyZETXCIPCVQRPMY-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.49
Rot. Bonds2

About [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone

[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone (PubChem CID 71096055) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
PubChem CID71096055
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC Name[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)cc1O)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO3/c18-11-5-3-10(4-6-11)14-2-1-7-20(14)17(23)12-8-13(19)16(22)9-15(12)21/h3-6,8-9,14,21-22H,1-2,7H2
InChIKeyZETXCIPCVQRPMY-UHFFFAOYSA-N
XLogP4.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2,4-dihydroxyphenyl)-[2-[4-[(cyclopropylmethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71096098
(5-chloro-2,4-dihydroxyphenyl)-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71096010
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(5-chloro-2,4-dihydroxyphenyl)-[2-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71095908
azetidin-1-yl-[4-[1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-3-methylphenyl]methanone
CID 44590148
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
ethane;methyl 4-[1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-3-methylbenzoate
CID 143322527
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone (CID 71096055) is [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone is O=C(c1cc(Cl)c(O)cc1O)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone?
The InChIKey is ZETXCIPCVQRPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c18-11-5-3-10(4-6-11)14-2-1-7-20(14)17(23)12-8-13(19)16(22)9-15(12)21/h3-6,8-9,14,21-22H,1-2,7H2.
What are the key properties of [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone?
[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone has a molecular weight of 396.67 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 71096055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).