2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H12ClF3N2O — CID 53416837

IUPAC2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)N(Cc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c16-8-14(22)21(10-11-3-2-6-20-9-11)13-5-1-4-12(7-13)15(17,18)19/h1-7,9H,8,10H2
InChIKeyVCOUEVHOTIWRND-UHFFFAOYSA-N
MW328.72 g/mol
LogP3.87
Rot. Bonds4

About 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53416837) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID53416837
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)N(Cc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O/c16-8-14(22)21(10-11-3-2-6-20-9-11)13-5-1-4-12(7-13)15(17,18)19/h1-7,9H,8,10H2
InChIKeyVCOUEVHOTIWRND-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 129051180
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 53416962
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 174310052
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
(E)-N-tert-butyl-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 75510679
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 53416837) is 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CCl)N(Cc1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VCOUEVHOTIWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c16-8-14(22)21(10-11-3-2-6-20-9-11)13-5-1-4-12(7-13)15(17,18)19/h1-7,9H,8,10H2.
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 328.72 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53416837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).