2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

C12H14ClF3N2O — CID 63668275

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C12H14ClF3N2O/c1-7(11(19)18(2)3)17-10-5-4-8(6-9(10)13)12(14,15)16/h4-7,17H,1-3H3
InChIKeyVNCMFPCNRBJVHE-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.25
Rot. Bonds3

About 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (PubChem CID 63668275) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
PubChem CID63668275
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C12H14ClF3N2O/c1-7(11(19)18(2)3)17-10-5-4-8(6-9(10)13)12(14,15)16/h4-7,17H,1-3H3
InChIKeyVNCMFPCNRBJVHE-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (CID 63668275) is 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is CC(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is VNCMFPCNRBJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(11(19)18(2)3)17-10-5-4-8(6-9(10)13)12(14,15)16/h4-7,17H,1-3H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 294.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63668275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).