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

C12H14ClNO2 — CID 60747870

IUPAC2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-14(10-4-5-10)12(15)8-16-11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyMOFABFZXHDQSAE-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.34
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 60747870) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID60747870
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-14(10-4-5-10)12(15)8-16-11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyMOFABFZXHDQSAE-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide (CID 60747870) is 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is MOFABFZXHDQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14(10-4-5-10)12(15)8-16-11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide?
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 239.70 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 60747870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).