N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide

C19H22ClNO3 — CID 110884676

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-17(22)14-5-7-15(8-6-14)24-11-18(23)21-19-13(3)9-12(2)10-16(19)20/h5-10,17,22H,4,11H2,1-3H3,(H,21,23)
InChIKeyROMIXTYWIQCSTR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.42
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (PubChem CID 110884676) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
PubChem CID110884676
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-17(22)14-5-7-15(8-6-14)24-11-18(23)21-19-13(3)9-12(2)10-16(19)20/h5-10,17,22H,4,11H2,1-3H3,(H,21,23)
InChIKeyROMIXTYWIQCSTR-UHFFFAOYSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844747
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744080
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139489
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (CID 110884676) is N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is CCC(O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The InChIKey is ROMIXTYWIQCSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-17(22)14-5-7-15(8-6-14)24-11-18(23)21-19-13(3)9-12(2)10-16(19)20/h5-10,17,22H,4,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide has a molecular weight of 347.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is sourced from PubChem (CID 110884676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).