N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide

C19H20ClF3N2O2 — CID 23587982

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O
InChIInChI=1S/C19H20ClF3N2O2/c1-4-5-8-25-12(3)11(2)9-16(18(25)27)24-17(26)14-10-13(19(21,22)23)6-7-15(14)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,26)
InChIKeyRQPPLXJMOFVBOB-UHFFFAOYSA-N
MW400.83 g/mol
LogP5.19
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide (PubChem CID 23587982) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide
PubChem CID23587982
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O
InChIInChI=1S/C19H20ClF3N2O2/c1-4-5-8-25-12(3)11(2)9-16(18(25)27)24-17(26)14-10-13(19(21,22)23)6-7-15(14)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,26)
InChIKeyRQPPLXJMOFVBOB-UHFFFAOYSA-N
XLogP5.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide (CID 23587982) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide is CCCCn1c(C)c(C)cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide?
The InChIKey is RQPPLXJMOFVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-4-5-8-25-12(3)11(2)9-16(18(25)27)24-17(26)14-10-13(19(21,22)23)6-7-15(14)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,26).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide has a molecular weight of 400.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chloro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 23587982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).