2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide

C15H22ClNO2 — CID 883742

IUPAC2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10(2)17(11(3)4)15(18)9-19-13-6-7-14(16)12(5)8-13/h6-8,10-11H,9H2,1-5H3
InChIKeyFLRUKKFNCPZANW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 883742) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID883742
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10(2)17(11(3)4)15(18)9-19-13-6-7-14(16)12(5)8-13/h6-8,10-11H,9H2,1-5H3
InChIKeyFLRUKKFNCPZANW-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
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-2-methylphenoxy)-N-cyclopentylacetamide
CID 871922
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
4-[(3-Methylphenoxy)acetyl]morpholine
CID 4478117
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
2-(4-Chloro-3-methylphenoxy)acetamide
CID 244052
2-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylacetamide
CID 2466241

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide (CID 883742) is 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide is Cc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is FLRUKKFNCPZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10(2)17(11(3)4)15(18)9-19-13-6-7-14(16)12(5)8-13/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 883742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).