2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide

C13H18ClNO2 — CID 14279893

IUPAC2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
SMILESCc1cccc(OCC(C)C)c1NC(=O)CCl
InChIInChI=1S/C13H18ClNO2/c1-9(2)8-17-11-6-4-5-10(3)13(11)15-12(16)7-14/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyBFVNDLUCKHTAPA-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide

2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide (PubChem CID 14279893) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
PubChem CID14279893
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
SMILESCc1cccc(OCC(C)C)c1NC(=O)CCl
InChIInChI=1S/C13H18ClNO2/c1-9(2)8-17-11-6-4-5-10(3)13(11)15-12(16)7-14/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyBFVNDLUCKHTAPA-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
CID 67820696
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823992
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
CID 14279894
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide (CID 14279893) is 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide is Cc1cccc(OCC(C)C)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is BFVNDLUCKHTAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)8-17-11-6-4-5-10(3)13(11)15-12(16)7-14/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide?
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 255.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 14279893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).