4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide

C20H18F3NO3 — CID 68931823

IUPAC4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18F3NO3/c1-2-13-24-19(26)12-11-18(25)16-5-3-14(4-6-16)15-7-9-17(10-8-15)27-20(21,22)23/h2-10H,1,11-13H2,(H,24,26)
InChIKeyWDQZXUDWUPUVKD-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.52
Rot. Bonds8

About 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide

4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide (PubChem CID 68931823) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide
PubChem CID68931823
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18F3NO3/c1-2-13-24-19(26)12-11-18(25)16-5-3-14(4-6-16)15-7-9-17(10-8-15)27-20(21,22)23/h2-10H,1,11-13H2,(H,24,26)
InChIKeyWDQZXUDWUPUVKD-UHFFFAOYSA-N
XLogP4.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 3083797
CID 3083797
CID 710674
CID 710674
CID 720058
CID 720058
CID 137363359
CID 137363359
CID 897223
CID 897223
CID 5220350
CID 5220350
CID 10833535
CID 10833535
CID 23360832
CID 23360832
CID 23544125
CID 23544125
CID 137362073
CID 137362073
CID 2309249
CID 2309249
CID 6379582
CID 6379582

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide?
The IUPAC name of 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide (CID 68931823) is 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide.
What is the SMILES notation for 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide?
The canonical SMILES for 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide is C=CCNC(=O)CCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide?
The InChIKey is WDQZXUDWUPUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-2-13-24-19(26)12-11-18(25)16-5-3-14(4-6-16)15-7-9-17(10-8-15)27-20(21,22)23/h2-10H,1,11-13H2,(H,24,26).
What are the key properties of 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide?
4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide has a molecular weight of 377.36 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-prop-2-enyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanamide is sourced from PubChem (CID 68931823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).