2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide

C19H22ClNO3 — CID 17074239

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H22ClNO3/c1-13(2)11-23-18-7-5-4-6-16(18)21-19(22)12-24-17-9-8-15(20)10-14(17)3/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyKOLHTBLKDCOCQR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide (PubChem CID 17074239) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
PubChem CID17074239
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H22ClNO3/c1-13(2)11-23-18-7-5-4-6-16(18)21-19(22)12-24-17-9-8-15(20)10-14(17)3/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyKOLHTBLKDCOCQR-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 155923420
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(2-aminoethoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79474018
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide (CID 17074239) is 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is KOLHTBLKDCOCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)11-23-18-7-5-4-6-16(18)21-19(22)12-24-17-9-8-15(20)10-14(17)3/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 347.84 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17074239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).