N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide

C12H16ClNO2 — CID 547421

IUPACN-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)14-12(2,3)8-16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFJKJPVFUGBBDAG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide

N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide (PubChem CID 547421) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide
PubChem CID547421
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)14-12(2,3)8-16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFJKJPVFUGBBDAG-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide (CID 547421) is N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)COc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide?
The InChIKey is FJKJPVFUGBBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(15)14-12(2,3)8-16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide?
N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenoxy)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 547421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).