(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C13H15BrClNO2 — CID 113329851

IUPAC(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1
InChIInChI=1S/C13H15BrClNO2/c1-13(2)8-16(5-6-18-13)12(17)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeySFBNIMGZMHERQG-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.35
Rot. Bonds1

About (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone

(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 113329851) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID113329851
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1
InChIInChI=1S/C13H15BrClNO2/c1-13(2)8-16(5-6-18-13)12(17)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeySFBNIMGZMHERQG-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
(3-chloro-4-nitrophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 82781380
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61294351
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 113329851) is (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is SFBNIMGZMHERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-13(2)8-16(5-6-18-13)12(17)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 332.63 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 113329851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).