N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide

C12H16ClNO2 — CID 3021207

IUPACN-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)14-8-12(2,3)16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFCLYYGPEWGPVSP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide

N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide (PubChem CID 3021207) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide
PubChem CID3021207
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)14-8-12(2,3)16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFCLYYGPEWGPVSP-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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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Plafibride
CID 68822
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
CID 17476178
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
2-[2-(4-Chlorophenoxy)propylamino]acetic acid
CID 10356287
1-[2-(4-Chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide (CID 3021207) is N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide?
The InChIKey is FCLYYGPEWGPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(15)14-8-12(2,3)16-11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide?
N-[2-(4-chlorophenoxy)-2-methylpropyl]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-[2-(4-chlorophenoxy)-2-methylpropyl]acetamide is sourced from PubChem (CID 3021207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).