(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone

C17H15BrFNO2 — CID 110629876

IUPAC(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15BrFNO2/c18-14-8-13(9-15(19)10-14)17(21)20-6-7-22-16(11-20)12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyANZLOIORAKTSRM-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.80
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone

(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 110629876) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID110629876
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H15BrFNO2/c18-14-8-13(9-15(19)10-14)17(21)20-6-7-22-16(11-20)12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyANZLOIORAKTSRM-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone (CID 110629876) is (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1cc(F)cc(Br)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is ANZLOIORAKTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c18-14-8-13(9-15(19)10-14)17(21)20-6-7-22-16(11-20)12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone?
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 364.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 110629876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).