N-tert-butyl-2-(3,4-dichlorophenyl)acetamide

C12H15Cl2NO — CID 2171626

IUPACN-tert-butyl-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)15-11(16)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySYVVEOYBUAWZMM-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.45
Rot. Bonds2

About N-tert-butyl-2-(3,4-dichlorophenyl)acetamide

N-tert-butyl-2-(3,4-dichlorophenyl)acetamide (PubChem CID 2171626) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dichlorophenyl)acetamide
PubChem CID2171626
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-tert-butyl-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)15-11(16)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySYVVEOYBUAWZMM-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)acetamide (CID 2171626) is N-tert-butyl-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,4-dichlorophenyl)acetamide is CC(C)(C)NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is SYVVEOYBUAWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,3)15-11(16)7-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(3,4-dichlorophenyl)acetamide?
N-tert-butyl-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 260.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2171626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).