(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

C17H17BrFNO4 — CID 8728755

IUPAC(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C17H17BrFNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyMDLPLLMXHKXFGZ-JTQLQIEISA-N
MW398.23 g/mol
LogP4.01
Rot. Bonds6

About (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 8728755) has the molecular formula C17H17BrFNO4 and a molecular weight of 398.23 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID8728755
Molecular FormulaC17H17BrFNO4
Molecular Weight398.23 g/mol
Exact Mass397.03
IUPAC Name(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C17H17BrFNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyMDLPLLMXHKXFGZ-JTQLQIEISA-N
XLogP4.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
1-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-(3,4-dimethoxyphenyl)thiourea
CID 2209428
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (CID 8728755) is (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1OC.
What is the InChIKey of (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is MDLPLLMXHKXFGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17BrFNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 398.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 8728755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).