(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide

C16H14BrF2NO2 — CID 8958051

IUPAC(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)20-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyNDYLRMSOZQQBSJ-JTQLQIEISA-N
MW370.19 g/mol
LogP4.44
Rot. Bonds4

About (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide

(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide (PubChem CID 8958051) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
PubChem CID8958051
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)20-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyNDYLRMSOZQQBSJ-JTQLQIEISA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide (CID 8958051) is (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is NDYLRMSOZQQBSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)20-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 370.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 8958051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).