2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide

C12H14ClNO2 — CID 110769934

IUPAC2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1ccc(CC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-16-10-5-2-8(11(13)7-10)6-12(15)14-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,14,15)
InChIKeyUXHWMGAJJWMGFO-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide

2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide (PubChem CID 110769934) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
PubChem CID110769934
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
SMILESCOc1ccc(CC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-16-10-5-2-8(11(13)7-10)6-12(15)14-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,14,15)
InChIKeyUXHWMGAJJWMGFO-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 69042089
N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide
CID 172888768
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-(4-acetamidophenyl)-2-(2-chloro-4-methoxyphenyl)acetamide
CID 110770008
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
methyl 1-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]-3,4-dimethylcyclohexane-1-carboxylate
CID 22327431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide (CID 110769934) is 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide is COc1ccc(CC(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide?
The InChIKey is UXHWMGAJJWMGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-10-5-2-8(11(13)7-10)6-12(15)14-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide?
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide has a molecular weight of 239.70 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 110769934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).