2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C17H16ClF3N2O3 — CID 2479846

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C17H16ClF3N2O3/c1-26-13-4-2-11(3-5-13)6-7-22-15(24)10-23-9-12(17(19,20)21)8-14(18)16(23)25/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyROQDYPGUFRYFCS-UHFFFAOYSA-N
MW388.77 g/mol
LogP2.89
Rot. Bonds6

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2479846) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2479846
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C17H16ClF3N2O3/c1-26-13-4-2-11(3-5-13)6-7-22-15(24)10-23-9-12(17(19,20)21)8-14(18)16(23)25/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyROQDYPGUFRYFCS-UHFFFAOYSA-N
XLogP2.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pisoniamide
CID 768471
2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxyphenyl)methyl)amino)-6-methyl-
CID 454363
(E)-N-(4-methoxyphenethyl)undec-2-enamide
CID 44406097
N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2078189
N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2093489
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2587547
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 16298360
(E)-4-(4-methoxyphenyl)-2-oxo-N-(2-phenylethyl)but-3-enamide
CID 156019740
3-(4-methoxyphenyl)-N-(3-phenylpropyl)acrylamide
CID 2165464
5,6,7,8-Tetrahydro-5-[[2-(4-methoxyphenyl)ethyl]amino]-1-methyl-2(1H)-quinolinone
CID 10086884
(2E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 762728
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 2213446

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2479846) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is ROQDYPGUFRYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-26-13-4-2-11(3-5-13)6-7-22-15(24)10-23-9-12(17(19,20)21)8-14(18)16(23)25/h2-5,8-9H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 388.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2479846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).