N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide

C14H16F6N2O — CID 4830485

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6N2O/c1-8(2)6-21-7-12(23)22-11-4-9(13(15,16)17)3-10(5-11)14(18,19)20/h3-5,8,21H,6-7H2,1-2H3,(H,22,23)
InChIKeyJFGVZUNUXLNNHY-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.91
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide (PubChem CID 4830485) has the molecular formula C14H16F6N2O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide
PubChem CID4830485
Molecular FormulaC14H16F6N2O
Molecular Weight342.28 g/mol
Exact Mass342.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6N2O/c1-8(2)6-21-7-12(23)22-11-4-9(13(15,16)17)3-10(5-11)14(18,19)20/h3-5,8,21H,6-7H2,1-2H3,(H,22,23)
InChIKeyJFGVZUNUXLNNHY-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide (CID 4830485) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide is CC(C)CNCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide?
The InChIKey is JFGVZUNUXLNNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O/c1-8(2)6-21-7-12(23)22-11-4-9(13(15,16)17)3-10(5-11)14(18,19)20/h3-5,8,21H,6-7H2,1-2H3,(H,22,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide has a molecular weight of 342.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 4830485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).