N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide

C17H17BrFNO2 — CID 55580788

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFNO2/c1-12(22-15-6-4-3-5-7-15)17(21)20(2)11-13-10-14(18)8-9-16(13)19/h3-10,12H,11H2,1-2H3
InChIKeyLUCQHFPYDGIMRS-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.01
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide (PubChem CID 55580788) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
PubChem CID55580788
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFNO2/c1-12(22-15-6-4-3-5-7-15)17(21)20(2)11-13-10-14(18)8-9-16(13)19/h3-10,12H,11H2,1-2H3
InChIKeyLUCQHFPYDGIMRS-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,3-dimethylpentanamide
CID 166372216
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-N-methylbutanamide
CID 115188370
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 47042167
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide (CID 55580788) is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide?
The InChIKey is LUCQHFPYDGIMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-12(22-15-6-4-3-5-7-15)17(21)20(2)11-13-10-14(18)8-9-16(13)19/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide has a molecular weight of 366.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide is sourced from PubChem (CID 55580788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).