2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

C17H15BrF3NO2 — CID 46633931

IUPAC2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C17H15BrF3NO2/c1-10-7-8-15(13(18)9-10)24-11(2)16(23)22-14-6-4-3-5-12(14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChIKeyKDAGMKFSJQPNFA-UHFFFAOYSA-N
MW402.21 g/mol
LogP5.18
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 46633931) has the molecular formula C17H15BrF3NO2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID46633931
Molecular FormulaC17H15BrF3NO2
Molecular Weight402.21 g/mol
Exact Mass401.02
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C17H15BrF3NO2/c1-10-7-8-15(13(18)9-10)24-11(2)16(23)22-14-6-4-3-5-12(14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChIKeyKDAGMKFSJQPNFA-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.21
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418069
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
CID 55778334
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 1019961
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 46633931) is 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(F)(F)F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KDAGMKFSJQPNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO2/c1-10-7-8-15(13(18)9-10)24-11(2)16(23)22-14-6-4-3-5-12(14)17(19,20)21/h3-9,11H,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 402.21 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46633931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).