(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide

C17H17F2NO2 — CID 9173713

IUPAC(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C17H17F2NO2/c1-10-4-7-16(11(2)8-10)22-12(3)17(21)20-13-5-6-14(18)15(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeySTMWDNWLUDEGJD-GFCCVEGCSA-N
MW305.32 g/mol
LogP3.99
Rot. Bonds4

About (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide

(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 9173713) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
PubChem CID9173713
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C17H17F2NO2/c1-10-4-7-16(11(2)8-10)22-12(3)17(21)20-13-5-6-14(18)15(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeySTMWDNWLUDEGJD-GFCCVEGCSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 40769007
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide (CID 9173713) is (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is STMWDNWLUDEGJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-10-4-7-16(11(2)8-10)22-12(3)17(21)20-13-5-6-14(18)15(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide?
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 9173713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).