2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone

C16H15BrFNO — CID 62035174

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3
InChIKeyNRMWXZRKWJJJMP-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.90
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone

2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone (PubChem CID 62035174) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
PubChem CID62035174
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3
InChIKeyNRMWXZRKWJJJMP-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone (CID 62035174) is 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The InChIKey is NRMWXZRKWJJJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone has a molecular weight of 336.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62035174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).