2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide

C15H13ClF3N3O — CID 108999863

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)NCc1ccncc1
InChIInChI=1S/C15H13ClF3N3O/c16-11-1-2-13(12(7-11)15(17,18)19)21-9-14(23)22-8-10-3-5-20-6-4-10/h1-7,21H,8-9H2,(H,22,23)
InChIKeyAYQSOVQLCJXNAB-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 108999863) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID108999863
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)NCc1ccncc1
InChIInChI=1S/C15H13ClF3N3O/c16-11-1-2-13(12(7-11)15(17,18)19)21-9-14(23)22-8-10-3-5-20-6-4-10/h1-7,21H,8-9H2,(H,22,23)
InChIKeyAYQSOVQLCJXNAB-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 22305302
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide (CID 108999863) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CNc1ccc(Cl)cc1C(F)(F)F)NCc1ccncc1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AYQSOVQLCJXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-11-1-2-13(12(7-11)15(17,18)19)21-9-14(23)22-8-10-3-5-20-6-4-10/h1-7,21H,8-9H2,(H,22,23).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 343.74 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 108999863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).