methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate

C14H15Cl2NO4 — CID 51983589

IUPACmethyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C14H15Cl2NO4/c1-13(8-14(13,15)16)12(19)17-9-3-5-10(6-4-9)21-7-11(18)20-2/h3-6H,7-8H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyRAWXLMVXENVALJ-CYBMUJFWSA-N
MW332.18 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate

methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate (PubChem CID 51983589) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
PubChem CID51983589
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Namemethyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C14H15Cl2NO4/c1-13(8-14(13,15)16)12(19)17-9-3-5-10(6-4-9)21-7-11(18)20-2/h3-6H,7-8H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyRAWXLMVXENVALJ-CYBMUJFWSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 43009787
(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
[2-(4-ethoxyanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619205
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
CID 43002536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate (CID 51983589) is methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1.
What is the InChIKey of methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate?
The InChIKey is RAWXLMVXENVALJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-13(8-14(13,15)16)12(19)17-9-3-5-10(6-4-9)21-7-11(18)20-2/h3-6H,7-8H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate?
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate has a molecular weight of 332.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 51983589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).