4-tert-butyl-2-chloro-N,N-dimethylbenzamide

C13H18ClNO — CID 69030370

IUPAC4-tert-butyl-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-13(2,3)9-6-7-10(11(14)8-9)12(16)15(4)5/h6-8H,1-5H3
InChIKeyZUVSCXSNVXTDTA-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.34
Rot. Bonds1

About 4-tert-butyl-2-chloro-N,N-dimethylbenzamide

4-tert-butyl-2-chloro-N,N-dimethylbenzamide (PubChem CID 69030370) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-N,N-dimethylbenzamide
PubChem CID69030370
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-tert-butyl-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-13(2,3)9-6-7-10(11(14)8-9)12(16)15(4)5/h6-8H,1-5H3
InChIKeyZUVSCXSNVXTDTA-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-tert-butyl-2-chloro-N,N-dimethylbenzamide (CID 69030370) is 4-tert-butyl-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-tert-butyl-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-tert-butyl-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of 4-tert-butyl-2-chloro-N,N-dimethylbenzamide?
The InChIKey is ZUVSCXSNVXTDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2,3)9-6-7-10(11(14)8-9)12(16)15(4)5/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-2-chloro-N,N-dimethylbenzamide?
4-tert-butyl-2-chloro-N,N-dimethylbenzamide has a molecular weight of 239.75 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 69030370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).