3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

C17H17BrFNO — CID 55833951

IUPAC3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Br
InChIInChI=1S/C17H17BrFNO/c1-20(12-13-6-9-15(19)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3
InChIKeyRIMZVMOMFHMZGK-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.18
Rot. Bonds5

About 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 55833951) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID55833951
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Br
InChIInChI=1S/C17H17BrFNO/c1-20(12-13-6-9-15(19)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3
InChIKeyRIMZVMOMFHMZGK-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
4-[[methyl-[3-(2-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119225951
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (CID 55833951) is 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is RIMZVMOMFHMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20(12-13-6-9-15(19)10-7-13)17(21)11-8-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 350.23 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).