(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C15H19BrN2O3 — CID 103873505

IUPAC(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(O)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H19BrN2O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10H2
InChIKeyMCTNZJZJBMMPOA-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.70
Rot. Bonds2

About (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 103873505) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID103873505
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)c(O)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H19BrN2O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10H2
InChIKeyMCTNZJZJBMMPOA-UHFFFAOYSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
(3-bromo-4-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 79458515
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(4-bromo-3-hydroxyphenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114103994
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
(4-bromo-3-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115770446
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-bromo-3-chlorophenyl)methanone
CID 81005040

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 103873505) is (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Br)c(O)c1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is MCTNZJZJBMMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10H2.
What are the key properties of (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 355.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).