[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone

C18H20BrNO2 — CID 23343332

IUPAC[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-4-20(5-2)14-8-11-16(17(19)12-14)18(21)13-6-9-15(22-3)10-7-13/h6-12H,4-5H2,1-3H3
InChIKeyRROFGEYRMVADKW-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.53
Rot. Bonds6

About [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone

[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone (PubChem CID 23343332) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone
PubChem CID23343332
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-4-20(5-2)14-8-11-16(17(19)12-14)18(21)13-6-9-15(22-3)10-7-13/h6-12H,4-5H2,1-3H3
InChIKeyRROFGEYRMVADKW-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
CID 82052966
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide
CID 58592500
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone (CID 23343332) is [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone is CCN(CC)c1ccc(C(=O)c2ccc(OC)cc2)c(Br)c1.
What is the InChIKey of [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is RROFGEYRMVADKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-20(5-2)14-8-11-16(17(19)12-14)18(21)13-6-9-15(22-3)10-7-13/h6-12H,4-5H2,1-3H3.
What are the key properties of [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone?
[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 362.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 23343332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).