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

C15H11Cl2F3N2O2 — CID 2339699

IUPACN-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H11Cl2F3N2O2/c1-8-2-3-10(16)5-12(8)21-13(23)7-22-6-9(15(18,19)20)4-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23)
InChIKeyMCOWTXGWPQQRPN-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.12
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2339699) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2339699
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H11Cl2F3N2O2/c1-8-2-3-10(16)5-12(8)21-13(23)7-22-6-9(15(18,19)20)4-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23)
InChIKeyMCOWTXGWPQQRPN-UHFFFAOYSA-N
XLogP4.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2339699) is N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MCOWTXGWPQQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c1-8-2-3-10(16)5-12(8)21-13(23)7-22-6-9(15(18,19)20)4-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 379.17 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2339699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).