2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide

C12H15ClN2O2 — CID 54956878

IUPAC2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-15(9-3-4-9)12(16)7-17-11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3
InChIKeyRPCRFMNKYDMOPA-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide

2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 54956878) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID54956878
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-15(9-3-4-9)12(16)7-17-11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3
InChIKeyRPCRFMNKYDMOPA-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 62072702
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-(5-aminoquinolin-8-yl)oxy-N-cyclopropyl-N-methylacetamide
CID 61488649
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide (CID 54956878) is 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1N)C1CC1.
What is the InChIKey of 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is RPCRFMNKYDMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(9-3-4-9)12(16)7-17-11-5-2-8(13)6-10(11)14/h2,5-6,9H,3-4,7,14H2,1H3.
What are the key properties of 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 54956878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).