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

C18H18ClF3N2O2 — CID 7183544

IUPACN-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,3)11-4-6-13(7-5-11)23-15(25)10-24-9-12(18(20,21)22)8-14(19)16(24)26/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyUWTCXHSVZQOTJA-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.46
Rot. Bonds3

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

N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7183544) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7183544
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC NameN-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,3)11-4-6-13(7-5-11)23-15(25)10-24-9-12(18(20,21)22)8-14(19)16(24)26/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyUWTCXHSVZQOTJA-UHFFFAOYSA-N
XLogP4.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7183544) is N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)(C)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UWTCXHSVZQOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-17(2,3)11-4-6-13(7-5-11)23-15(25)10-24-9-12(18(20,21)22)8-14(19)16(24)26/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 386.80 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7183544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).