N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide

C16H16F3N3O — CID 71627827

IUPACN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C
InChIInChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23)
InChIKeyKYWOCSKAPHSCKP-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.79
Rot. Bonds3

About N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide

N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (PubChem CID 71627827) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
PubChem CID71627827
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C
InChIInChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23)
InChIKeyKYWOCSKAPHSCKP-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (CID 71627827) is N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The InChIKey is KYWOCSKAPHSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23).
What are the key properties of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 71627827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).