4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide

C18H20ClNO — CID 873062

IUPAC4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(19)11-5-13/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySHTKYWSBRDIPDC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.57
Rot. Bonds3

About 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide

4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 873062) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID873062
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(19)11-5-13/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySHTKYWSBRDIPDC-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.57
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-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide (CID 873062) is 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is SHTKYWSBRDIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(19)11-5-13/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide?
4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide has a molecular weight of 301.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 873062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).