(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C17H14BrCl2NO2 — CID 121134543

IUPAC(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H14BrCl2NO2/c18-13-3-1-11(2-4-13)17(22)21-5-6-23-16(10-21)12-7-14(19)9-15(20)8-12/h1-4,7-9,16H,5-6,10H2
InChIKeyFHXCMKFLTGLYPR-UHFFFAOYSA-N
MW415.11 g/mol
LogP4.97
Rot. Bonds2

About (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 121134543) has the molecular formula C17H14BrCl2NO2 and a molecular weight of 415.11 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID121134543
Molecular FormulaC17H14BrCl2NO2
Molecular Weight415.11 g/mol
Exact Mass412.96
IUPAC Name(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H14BrCl2NO2/c18-13-3-1-11(2-4-13)17(22)21-5-6-23-16(10-21)12-7-14(19)9-15(20)8-12/h1-4,7-9,16H,5-6,10H2
InChIKeyFHXCMKFLTGLYPR-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.11
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 121134543) is (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(c1ccc(Br)cc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is FHXCMKFLTGLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2NO2/c18-13-3-1-11(2-4-13)17(22)21-5-6-23-16(10-21)12-7-14(19)9-15(20)8-12/h1-4,7-9,16H,5-6,10H2.
What are the key properties of (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
(4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 415.11 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).