2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C24H23F3N2O2 — CID 24564727

IUPAC2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1Cc1ccccc1
InChIInChI=1S/C24H23F3N2O2/c1-16(23(30)29-21-11-7-6-10-20(21)24(25,26)27)28-19-12-13-22(31-2)18(15-19)14-17-8-4-3-5-9-17/h3-13,15-16,28H,14H2,1-2H3,(H,29,30)
InChIKeyQMCWTGWRPKXBPJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.74
Rot. Bonds7

About 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 24564727) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID24564727
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1Cc1ccccc1
InChIInChI=1S/C24H23F3N2O2/c1-16(23(30)29-21-11-7-6-10-20(21)24(25,26)27)28-19-12-13-22(31-2)18(15-19)14-17-8-4-3-5-9-17/h3-13,15-16,28H,14H2,1-2H3,(H,29,30)
InChIKeyQMCWTGWRPKXBPJ-UHFFFAOYSA-N
XLogP5.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 24564727) is 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QMCWTGWRPKXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-16(23(30)29-21-11-7-6-10-20(21)24(25,26)27)28-19-12-13-22(31-2)18(15-19)14-17-8-4-3-5-9-17/h3-13,15-16,28H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 428.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).