2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide

C20H24ClNO2 — CID 53266580

IUPAC2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24ClNO2/c1-13-10-11-15(21)12-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)
InChIKeyJYUJQEMZEHVGFV-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.35
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide

2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 53266580) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID53266580
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24ClNO2/c1-13-10-11-15(21)12-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)
InChIKeyJYUJQEMZEHVGFV-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468
2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
CID 53266571
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837798
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide (CID 53266580) is 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is JYUJQEMZEHVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-13-10-11-15(21)12-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 345.87 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 53266580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).