2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide

C16H22ClNO2 — CID 110617278

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-11(2)20-10-9-18-16(19)15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeySGDWNQZCXVQYPH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.37
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 110617278) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID110617278
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-11(2)20-10-9-18-16(19)15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeySGDWNQZCXVQYPH-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
CID 110357237
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110301101
2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110309152
2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 110306520
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110305204
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide (CID 110617278) is 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is SGDWNQZCXVQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)20-10-9-18-16(19)15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.37, 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-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 110617278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).