(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate

C19H18F3NO3 — CID 60584071

IUPAC(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
SMILESCC(=O)Nc1ccc(OC(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-12(14-3-5-15(6-4-14)19(20,21)22)11-18(25)26-17-9-7-16(8-10-17)23-13(2)24/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyUXRZACRUDQZXRI-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.76
Rot. Bonds5

About (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate

(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate (PubChem CID 60584071) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
PubChem CID60584071
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
SMILESCC(=O)Nc1ccc(OC(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-12(14-3-5-15(6-4-14)19(20,21)22)11-18(25)26-17-9-7-16(8-10-17)23-13(2)24/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyUXRZACRUDQZXRI-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-acetamidophenyl) propanedioate
CID 58435595
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
CID 55923570
(4-acetamidophenyl) 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 51182392
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate?
The IUPAC name of (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate (CID 60584071) is (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate.
What is the SMILES notation for (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate?
The canonical SMILES for (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate is CC(=O)Nc1ccc(OC(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate?
The InChIKey is UXRZACRUDQZXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-12(14-3-5-15(6-4-14)19(20,21)22)11-18(25)26-17-9-7-16(8-10-17)23-13(2)24/h3-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate?
(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate has a molecular weight of 365.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate is sourced from PubChem (CID 60584071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).