2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide

C16H14ClF3N2O — CID 3848305

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClF3N2O/c1-10(11-5-3-2-4-6-11)22-15(23)8-14-13(17)7-12(9-21-14)16(18,19)20/h2-7,9-10H,8H2,1H3,(H,22,23)
InChIKeyFNBUYXDNGZZTJT-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.17
Rot. Bonds4

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide (PubChem CID 3848305) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
PubChem CID3848305
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClF3N2O/c1-10(11-5-3-2-4-6-11)22-15(23)8-14-13(17)7-12(9-21-14)16(18,19)20/h2-7,9-10H,8H2,1H3,(H,22,23)
InChIKeyFNBUYXDNGZZTJT-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide
CID 1491763
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methylpiperazin-1-yl)acetamide
CID 3655511
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 87120690
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
N-benzhydryl-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 4968239

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide (CID 3848305) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide?
The InChIKey is FNBUYXDNGZZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-10(11-5-3-2-4-6-11)22-15(23)8-14-13(17)7-12(9-21-14)16(18,19)20/h2-7,9-10H,8H2,1H3,(H,22,23).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide has a molecular weight of 342.75 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3848305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).