N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide

C16H16Cl2N2O — CID 110443054

IUPACN-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,3)14-9-11(6-7-19-14)20-15(21)12-5-4-10(17)8-13(12)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyZBWIBKOTUHYONU-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.94
Rot. Bonds2

About N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide

N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide (PubChem CID 110443054) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
PubChem CID110443054
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,3)14-9-11(6-7-19-14)20-15(21)12-5-4-10(17)8-13(12)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyZBWIBKOTUHYONU-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 110442677
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
[2-tert-butyl-4-[(2,4-dichlorobenzoyl)amino]phenyl] acetate
CID 122188993
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide (CID 110443054) is N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide?
The InChIKey is ZBWIBKOTUHYONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-16(2,3)14-9-11(6-7-19-14)20-15(21)12-5-4-10(17)8-13(12)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide?
N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 110443054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).