(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide

C16H15ClFNO3 — CID 7834391

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNO3/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)19-13-8-7-11(18)9-12(13)17/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeySBMQEYXJEPYHHJ-JTQLQIEISA-N
MW323.75 g/mol
LogP3.89
Rot. Bonds5

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide (PubChem CID 7834391) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
PubChem CID7834391
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNO3/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)19-13-8-7-11(18)9-12(13)17/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeySBMQEYXJEPYHHJ-JTQLQIEISA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596572

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide (CID 7834391) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide is COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide?
The InChIKey is SBMQEYXJEPYHHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)19-13-8-7-11(18)9-12(13)17/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide has a molecular weight of 323.75 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 7834391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).