N-tert-butyl-4-chlorobenzamide

C11H14ClNO — CID 587347

IUPACN-tert-butyl-4-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKeyXOEWMCMXPCWIDY-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds1

About N-tert-butyl-4-chlorobenzamide

N-tert-butyl-4-chlorobenzamide (PubChem CID 587347) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-tert-butyl-4-chlorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-chlorobenzamide
PubChem CID587347
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-tert-butyl-4-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKeyXOEWMCMXPCWIDY-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chlorobenzamide?
The IUPAC name of N-tert-butyl-4-chlorobenzamide (CID 587347) is N-tert-butyl-4-chlorobenzamide.
What is the SMILES notation for N-tert-butyl-4-chlorobenzamide?
The canonical SMILES for N-tert-butyl-4-chlorobenzamide is CC(C)(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-4-chlorobenzamide?
The InChIKey is XOEWMCMXPCWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-4-chlorobenzamide?
N-tert-butyl-4-chlorobenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chlorobenzamide is sourced from PubChem (CID 587347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).