2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide

C19H26ClNO3 — CID 97067622

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide
SMILESCc1cc(OCC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(C(C)C)cc1Cl
InChIInChI=1S/C19H26ClNO3/c1-11(2)14-9-15(20)12(3)8-17(14)24-10-18(22)21-16-6-7-23-19(16)13-4-5-13/h8-9,11,13,16,19H,4-7,10H2,1-3H3,(H,21,22)/t16-,19-/m1/s1
InChIKeyQGWXLRLJMXKNFI-VQIMIIECSA-N
MW351.87 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide (PubChem CID 97067622) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide
PubChem CID97067622
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide
SMILESCc1cc(OCC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(C(C)C)cc1Cl
InChIInChI=1S/C19H26ClNO3/c1-11(2)14-9-15(20)12(3)8-17(14)24-10-18(22)21-16-6-7-23-19(16)13-4-5-13/h8-9,11,13,16,19H,4-7,10H2,1-3H3,(H,21,22)/t16-,19-/m1/s1
InChIKeyQGWXLRLJMXKNFI-VQIMIIECSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetate
CID 7903442
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(1R,2R)-2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 99649390
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613
N-(2-cyclopropyloxolan-3-yl)-2-methoxyacetamide
CID 103864240
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 2311623
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55560316
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanone
CID 118555851
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146147

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide (CID 97067622) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide is Cc1cc(OCC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide?
The InChIKey is QGWXLRLJMXKNFI-VQIMIIECSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-11(2)14-9-15(20)12(3)8-17(14)24-10-18(22)21-16-6-7-23-19(16)13-4-5-13/h8-9,11,13,16,19H,4-7,10H2,1-3H3,(H,21,22)/t16-,19-/m1/s1.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide has a molecular weight of 351.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide is sourced from PubChem (CID 97067622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).