N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide

C19H19F3N2O4 — CID 46509122

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-11(28-15-7-5-14(27-3)6-8-15)18(26)24-17-9-4-13(23-12(2)25)10-16(17)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyFLUYZOPPQLPYCW-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.08
Rot. Bonds6

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 46509122) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID46509122
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-11(28-15-7-5-14(27-3)6-8-15)18(26)24-17-9-4-13(23-12(2)25)10-16(17)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyFLUYZOPPQLPYCW-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide (CID 46509122) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is FLUYZOPPQLPYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-11(28-15-7-5-14(27-3)6-8-15)18(26)24-17-9-4-13(23-12(2)25)10-16(17)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 396.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 46509122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).