2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

C20H22ClNO2 — CID 110301101

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H22ClNO2/c1-24-18-5-3-2-4-14(18)12-13-22-20(23)19(15-6-7-15)16-8-10-17(21)11-9-16/h2-5,8-11,15,19H,6-7,12-13H2,1H3,(H,22,23)
InChIKeyOCCBLTOORHBMLL-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.20
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 110301101) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID110301101
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H22ClNO2/c1-24-18-5-3-2-4-14(18)12-13-22-20(23)19(15-6-7-15)16-8-10-17(21)11-9-16/h2-5,8-11,15,19H,6-7,12-13H2,1H3,(H,22,23)
InChIKeyOCCBLTOORHBMLL-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 110301101) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is OCCBLTOORHBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-24-18-5-3-2-4-14(18)12-13-22-20(23)19(15-6-7-15)16-8-10-17(21)11-9-16/h2-5,8-11,15,19H,6-7,12-13H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 343.85 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 110301101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).