3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C16H11ClF3NO2 — CID 874226

IUPAC3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-12-4-1-11(2-5-12)3-10-15(22)21-13-6-8-14(9-7-13)23-16(18,19)20/h1-10H,(H,21,22)
InChIKeyJWXJRWIFOBZMOY-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.89
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 874226) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID874226
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-12-4-1-11(2-5-12)3-10-15(22)21-13-6-8-14(9-7-13)23-16(18,19)20/h1-10H,(H,21,22)
InChIKeyJWXJRWIFOBZMOY-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 874226) is 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is JWXJRWIFOBZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-12-4-1-11(2-5-12)3-10-15(22)21-13-6-8-14(9-7-13)23-16(18,19)20/h1-10H,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 341.72 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 874226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).