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

C12H16ClNO3 — CID 47423695

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

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

N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide (PubChem CID 47423695) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
PubChem CID47423695
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
SMILESCOc1ccc(Cl)c(NC(=O)COC(C)C)c1
InChIInChI=1S/C12H16ClNO3/c1-8(2)17-7-12(15)14-11-6-9(16-3)4-5-10(11)13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeySYJXAKJDKWMITG-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

methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86847323
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741109
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
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CID 111431527

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide (CID 47423695) is N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide is COc1ccc(Cl)c(NC(=O)COC(C)C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is SYJXAKJDKWMITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(2)17-7-12(15)14-11-6-9(16-3)4-5-10(11)13/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide?
N-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47423695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).