2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide

C18H20ClNO2 — CID 67840066

IUPAC2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-18(2,3)13-8-9-16(15(19)10-13)22-11-12-6-4-5-7-14(12)17(20)21/h4-10H,11H2,1-3H3,(H2,20,21)
InChIKeyVOLWDSBLZXOVMS-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.32
Rot. Bonds4

About 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide

2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide (PubChem CID 67840066) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide
PubChem CID67840066
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-18(2,3)13-8-9-16(15(19)10-13)22-11-12-6-4-5-7-14(12)17(20)21/h4-10H,11H2,1-3H3,(H2,20,21)
InChIKeyVOLWDSBLZXOVMS-UHFFFAOYSA-N
XLogP4.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide?
The IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide (CID 67840066) is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide?
The canonical SMILES for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide is CC(C)(C)c1ccc(OCc2ccccc2C(N)=O)c(Cl)c1.
What is the InChIKey of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide?
The InChIKey is VOLWDSBLZXOVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-18(2,3)13-8-9-16(15(19)10-13)22-11-12-6-4-5-7-14(12)17(20)21/h4-10H,11H2,1-3H3,(H2,20,21).
What are the key properties of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide?
2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 67840066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).