2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide

C12H16ClNO2 — CID 883710

IUPAC2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8(2)14-12(15)7-16-10-4-5-11(13)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyMJBLQWXJCLOIEY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide

2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide (PubChem CID 883710) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide
PubChem CID883710
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8(2)14-12(15)7-16-10-4-5-11(13)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyMJBLQWXJCLOIEY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
CID 869329
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
N-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988
2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
CID 4843615
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
CID 17476178
2-(4-chloro-2-methylphenoxy)-N-cyclopentylacetamide
CID 871922

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide (CID 883710) is 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide is Cc1cc(OCC(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is MJBLQWXJCLOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)14-12(15)7-16-10-4-5-11(13)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide?
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 241.72 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 883710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).