2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C16H24ClNO2 — CID 102914944

IUPAC2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccccc1Cl)C(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)
InChIKeyHILHBLKJNQQAMH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102914944) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102914944
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccccc1Cl)C(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)
InChIKeyHILHBLKJNQQAMH-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161769
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
CID 95167827
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102914944) is 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is CC(C)C(CNC(=O)COc1ccccc1Cl)C(C)C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is HILHBLKJNQQAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)13(12(3)4)9-18-16(19)10-20-15-8-6-5-7-14(15)17/h5-8,11-13H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102914944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).