3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

C16H10Cl2F3NO — CID 4058643

IUPAC3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl2F3NO/c17-13-6-4-10(8-14(13)18)5-7-15(23)22-12-3-1-2-11(9-12)16(19,20)21/h1-9H,(H,22,23)
InChIKeyKOVPDJPJEAJUSW-UHFFFAOYSA-N
MW360.16 g/mol
LogP5.66
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 4058643) has the molecular formula C16H10Cl2F3NO and a molecular weight of 360.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID4058643
Molecular FormulaC16H10Cl2F3NO
Molecular Weight360.16 g/mol
Exact Mass359.01
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl2F3NO/c17-13-6-4-10(8-14(13)18)5-7-15(23)22-12-3-1-2-11(9-12)16(19,20)21/h1-9H,(H,22,23)
InChIKeyKOVPDJPJEAJUSW-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.16
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 4058643) is 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is KOVPDJPJEAJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3NO/c17-13-6-4-10(8-14(13)18)5-7-15(23)22-12-3-1-2-11(9-12)16(19,20)21/h1-9H,(H,22,23).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 360.16 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4058643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).