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

C20H18ClF2NO3 — CID 86903328

IUPACmethyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC1c1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C20H18ClF2NO3/c1-27-19(25)10-18(12-4-2-3-5-15(12)21)24-20(26)14-9-13(14)11-6-7-16(22)17(23)8-11/h2-8,13-14,18H,9-10H2,1H3,(H,24,26)
InChIKeyDIDWTFUBMBTBKL-UHFFFAOYSA-N
MW393.82 g/mol
LogP4.14
Rot. Bonds6

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

methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 86903328) has the molecular formula C20H18ClF2NO3 and a molecular weight of 393.82 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID86903328
Molecular FormulaC20H18ClF2NO3
Molecular Weight393.82 g/mol
Exact Mass393.09
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC1c1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C20H18ClF2NO3/c1-27-19(25)10-18(12-4-2-3-5-15(12)21)24-20(26)14-9-13(14)11-6-7-16(22)17(23)8-11/h2-8,13-14,18H,9-10H2,1H3,(H,24,26)
InChIKeyDIDWTFUBMBTBKL-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994
(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124736619
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
CID 109479076
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
CID 86941664
methyl 3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanoate
CID 55440619
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoate
CID 38591349
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
CID 55925524

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate (CID 86903328) is methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)CC(NC(=O)C1CC1c1ccc(F)c(F)c1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is DIDWTFUBMBTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2NO3/c1-27-19(25)10-18(12-4-2-3-5-15(12)21)24-20(26)14-9-13(14)11-6-7-16(22)17(23)8-11/h2-8,13-14,18H,9-10H2,1H3,(H,24,26).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 393.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 86903328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).