N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide

C12H11F6NO — CID 58356050

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c1-3-10(20)19(2)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h4-6H,3H2,1-2H3
InChIKeySZVMANZZKWJYMN-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.10
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide

N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide (PubChem CID 58356050) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide
PubChem CID58356050
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO/c1-3-10(20)19(2)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h4-6H,3H2,1-2H3
InChIKeySZVMANZZKWJYMN-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide (CID 58356050) is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide is CCC(=O)N(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide?
The InChIKey is SZVMANZZKWJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO/c1-3-10(20)19(2)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h4-6H,3H2,1-2H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 58356050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).