2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide

C20H22ClNO3 — CID 55461093

IUPAC2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Cl)cc2C)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-13-11-16(21)7-10-18(13)25-12-19(23)22-20(14-3-4-14)15-5-8-17(24-2)9-6-15/h5-11,14,20H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyXBCVRRJSOZGCEM-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 55461093) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
PubChem CID55461093
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2ccc(Cl)cc2C)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-13-11-16(21)7-10-18(13)25-12-19(23)22-20(14-3-4-14)15-5-8-17(24-2)9-6-15/h5-11,14,20H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyXBCVRRJSOZGCEM-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
2-(4-cyano-2-ethoxyphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 51279492
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 55773167
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 55540383
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
CID 55686041
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55524114
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55461094
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide (CID 55461093) is 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide is COc1ccc(C(NC(=O)COc2ccc(Cl)cc2C)C2CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is XBCVRRJSOZGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13-11-16(21)7-10-18(13)25-12-19(23)22-20(14-3-4-14)15-5-8-17(24-2)9-6-15/h5-11,14,20H,3-4,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55461093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).