2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

C19H22ClNO3 — CID 873905

IUPAC2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22ClNO3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-16-11-14(20)7-10-17(16)23-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyITWQINWKVUKFKR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 873905) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID873905
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22ClNO3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-16-11-14(20)7-10-17(16)23-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyITWQINWKVUKFKR-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 873905) is 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ITWQINWKVUKFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-16-11-14(20)7-10-17(16)23-4/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 347.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 873905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).