2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide

C16H14ClF2NO2 — CID 2932686

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-9-7-11(17)3-6-15(9)22-10(2)16(21)20-12-4-5-13(18)14(19)8-12/h3-8,10H,1-2H3,(H,20,21)
InChIKeyPPWVXVHCWMSQBI-UHFFFAOYSA-N
MW325.74 g/mol
LogP4.33
Rot. Bonds4

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

2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide (PubChem CID 2932686) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
PubChem CID2932686
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-9-7-11(17)3-6-15(9)22-10(2)16(21)20-12-4-5-13(18)14(19)8-12/h3-8,10H,1-2H3,(H,20,21)
InChIKeyPPWVXVHCWMSQBI-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide (CID 2932686) is 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is PPWVXVHCWMSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-9-7-11(17)3-6-15(9)22-10(2)16(21)20-12-4-5-13(18)14(19)8-12/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 325.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 2932686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).