2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide

C16H19Cl2NO2 — CID 95389332

IUPAC2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C16H19Cl2NO2/c1-4-9-19-14(20)15(2,3)21-12-7-5-11(6-8-12)13-10-16(13,17)18/h4-8,13H,1,9-10H2,2-3H3,(H,19,20)/t13-/m1/s1
InChIKeyXXDLWGOKQMCIMM-CYBMUJFWSA-N
MW328.24 g/mol
LogP3.81
Rot. Bonds6

About 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide

2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide (PubChem CID 95389332) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide
PubChem CID95389332
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C16H19Cl2NO2/c1-4-9-19-14(20)15(2,3)21-12-7-5-11(6-8-12)13-10-16(13,17)18/h4-8,13H,1,9-10H2,2-3H3,(H,19,20)/t13-/m1/s1
InChIKeyXXDLWGOKQMCIMM-CYBMUJFWSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]amino]propanoic acid
CID 11068377
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-N-(2-methoxyethyl)-2-methylpropanamide
CID 95859194
2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 97263438
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide
CID 71829190
methyl 2-[[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]amino]-3-methylbutanoate
CID 91820901
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 124879616
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-methylpropanamide
CID 124849335
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 95859796
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylpropanamide
CID 96557259
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide
CID 130191196
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-2-methylpropanamide
CID 97263905
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide
CID 75465975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide (CID 95389332) is 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1.
What is the InChIKey of 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is XXDLWGOKQMCIMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-4-9-19-14(20)15(2,3)21-12-7-5-11(6-8-12)13-10-16(13,17)18/h4-8,13H,1,9-10H2,2-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide?
2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 328.24 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 95389332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).