N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide

C12H16ClNO3 — CID 103606661

IUPACN-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H16ClNO3/c1-9-3-4-10(13)7-11(9)14-12(15)8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyKUURDNHRKUXHGM-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.25
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103606661) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103606661
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H16ClNO3/c1-9-3-4-10(13)7-11(9)14-12(15)8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyKUURDNHRKUXHGM-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 106255250
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588252
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide (CID 103606661) is N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is KUURDNHRKUXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-9-3-4-10(13)7-11(9)14-12(15)8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 257.72 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103606661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).