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

C17H17BrFNO — CID 112792574

IUPAC3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCc1cccc(Br)c1
InChIInChI=1S/C17H17BrFNO/c1-20(12-14-5-8-16(19)9-6-14)17(21)10-7-13-3-2-4-15(18)11-13/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyAFTSHQCYZVBWHR-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.18
Rot. Bonds5

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

3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 112792574) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID112792574
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCc1cccc(Br)c1
InChIInChI=1S/C17H17BrFNO/c1-20(12-14-5-8-16(19)9-6-14)17(21)10-7-13-3-2-4-15(18)11-13/h2-6,8-9,11H,7,10,12H2,1H3
InChIKeyAFTSHQCYZVBWHR-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-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
3-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55997454
3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 54993578
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
2-[3-(3-bromophenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817750

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (CID 112792574) is 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)cc1)C(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is AFTSHQCYZVBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20(12-14-5-8-16(19)9-6-14)17(21)10-7-13-3-2-4-15(18)11-13/h2-6,8-9,11H,7,10,12H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
3-(3-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-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 112792574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).