N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide

C12H10Cl2F3NO — CID 70592115

IUPACN-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C12H10Cl2F3NO/c1-3-6-18(7(2)19)9-5-4-8(13)10(11(9)14)12(15,16)17/h3-5H,1,6H2,2H3
InChIKeyKHKAPPBZSVMZAT-UHFFFAOYSA-N
MW312.12 g/mol
LogP4.55
Rot. Bonds3

About N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide

N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide (PubChem CID 70592115) has the molecular formula C12H10Cl2F3NO and a molecular weight of 312.12 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide
PubChem CID70592115
Molecular FormulaC12H10Cl2F3NO
Molecular Weight312.12 g/mol
Exact Mass311.01
IUPAC NameN-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C12H10Cl2F3NO/c1-3-6-18(7(2)19)9-5-4-8(13)10(11(9)14)12(15,16)17/h3-5H,1,6H2,2H3
InChIKeyKHKAPPBZSVMZAT-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide (CID 70592115) is N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide is C=CCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide?
The InChIKey is KHKAPPBZSVMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3NO/c1-3-6-18(7(2)19)9-5-4-8(13)10(11(9)14)12(15,16)17/h3-5H,1,6H2,2H3.
What are the key properties of N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide?
N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide has a molecular weight of 312.12 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(trifluoromethyl)phenyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 70592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).