4-tert-butyl-N-(2-chlorophenyl)benzamide

C17H18ClNO — CID 667624

IUPAC4-tert-butyl-N-(2-chlorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyPFKHLXGGIWJUPL-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.89
Rot. Bonds2

About 4-tert-butyl-N-(2-chlorophenyl)benzamide

4-tert-butyl-N-(2-chlorophenyl)benzamide (PubChem CID 667624) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-chlorophenyl)benzamide
PubChem CID667624
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-tert-butyl-N-(2-chlorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyPFKHLXGGIWJUPL-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-chlorophenyl)benzamide (CID 667624) is 4-tert-butyl-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-chlorophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-chlorophenyl)benzamide?
The InChIKey is PFKHLXGGIWJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-chlorophenyl)benzamide?
4-tert-butyl-N-(2-chlorophenyl)benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 667624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).