N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide

C18H20ClNO3 — CID 162664387

IUPACN-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-11(21)20-12-5-8-17(15(19)9-12)23-13-6-7-16(22)14(10-13)18(2,3)4/h5-10,22H,1-4H3,(H,20,21)
InChIKeyFCWZEYPYWCKTDS-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.09
Rot. Bonds3

About N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide

N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide (PubChem CID 162664387) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide
PubChem CID162664387
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-11(21)20-12-5-8-17(15(19)9-12)23-13-6-7-16(22)14(10-13)18(2,3)4/h5-10,22H,1-4H3,(H,20,21)
InChIKeyFCWZEYPYWCKTDS-UHFFFAOYSA-N
XLogP5.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide?
The IUPAC name of N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide (CID 162664387) is N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide?
The canonical SMILES for N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1.
What is the InChIKey of N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide?
The InChIKey is FCWZEYPYWCKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11(21)20-12-5-8-17(15(19)9-12)23-13-6-7-16(22)14(10-13)18(2,3)4/h5-10,22H,1-4H3,(H,20,21).
What are the key properties of N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide?
N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-tert-butyl-4-hydroxyphenoxy)-3-chlorophenyl]acetamide is sourced from PubChem (CID 162664387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).