N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide

C12H16ClNO3 — CID 47412284

IUPACN-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COC(C)C
InChIInChI=1S/C12H16ClNO3/c1-8(2)17-7-12(15)14-10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyCNENUYKFDVFMJD-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.71
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide

N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide (PubChem CID 47412284) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
PubChem CID47412284
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COC(C)C
InChIInChI=1S/C12H16ClNO3/c1-8(2)17-7-12(15)14-10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyCNENUYKFDVFMJD-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-2-propan-2-yloxyacetamide
CID 115593507
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867861
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide (CID 47412284) is N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide is COc1ccc(Cl)cc1NC(=O)COC(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is CNENUYKFDVFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(2)17-7-12(15)14-10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 257.72 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47412284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).