3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide

C18H20Cl2N2O — CID 68545808

IUPAC3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,3)16-7-4-11(10-22-16)8-13(17(21)23)12-5-6-14(19)15(20)9-12/h4-7,9-10,13H,8H2,1-3H3,(H2,21,23)
InChIKeyNJSQQKRWZDCGOO-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.50
Rot. Bonds4

About 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide

3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide (PubChem CID 68545808) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide
PubChem CID68545808
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,3)16-7-4-11(10-22-16)8-13(17(21)23)12-5-6-14(19)15(20)9-12/h4-7,9-10,13H,8H2,1-3H3,(H2,21,23)
InChIKeyNJSQQKRWZDCGOO-UHFFFAOYSA-N
XLogP4.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide (CID 68545808) is 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide is CC(C)(C)c1ccc(CC(C(N)=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is NJSQQKRWZDCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-18(2,3)16-7-4-11(10-22-16)8-13(17(21)23)12-5-6-14(19)15(20)9-12/h4-7,9-10,13H,8H2,1-3H3,(H2,21,23).
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide?
3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 351.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 68545808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).