methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate

C20H19Cl2NO3 — CID 55474994

IUPACmethyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC1c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO3/c1-26-19(24)11-18(12-6-8-13(21)9-7-12)23-20(25)16-10-15(16)14-4-2-3-5-17(14)22/h2-9,15-16,18H,10-11H2,1H3,(H,23,25)
InChIKeyJQXAPLJQHXIWSK-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.52
Rot. Bonds6

About methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate

methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 55474994) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID55474994
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC1c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO3/c1-26-19(24)11-18(12-6-8-13(21)9-7-12)23-20(25)16-10-15(16)14-4-2-3-5-17(14)22/h2-9,15-16,18H,10-11H2,1H3,(H,23,25)
InChIKeyJQXAPLJQHXIWSK-UHFFFAOYSA-N
XLogP4.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 86903328
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
CID 55907604
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
methyl (3R)-3-(4-chlorophenyl)-3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]propanoate
CID 30794184
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466
methyl (3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-3-(4-methylphenyl)propanoate
CID 124822180
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate (CID 55474994) is methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)CC(NC(=O)C1CC1c1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is JQXAPLJQHXIWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-26-19(24)11-18(12-6-8-13(21)9-7-12)23-20(25)16-10-15(16)14-4-2-3-5-17(14)22/h2-9,15-16,18H,10-11H2,1H3,(H,23,25).
What are the key properties of methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 392.28 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 55474994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).