N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C14H10ClF3N2O — CID 103892875

IUPACN-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ncccc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-11-2-1-7-19-13(11)20-12(21)8-9-3-5-10(6-4-9)14(16,17)18/h1-7H,8H2,(H,19,20,21)
InChIKeyTXTBVXQXYUNOIV-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 103892875) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID103892875
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ncccc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-11-2-1-7-19-13(11)20-12(21)8-9-3-5-10(6-4-9)14(16,17)18/h1-7H,8H2,(H,19,20,21)
InChIKeyTXTBVXQXYUNOIV-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 103892875) is N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TXTBVXQXYUNOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-11-2-1-7-19-13(11)20-12(21)8-9-3-5-10(6-4-9)14(16,17)18/h1-7H,8H2,(H,19,20,21).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 103892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).