methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate

C20H18ClF2NO5 — CID 55520233

IUPACmethyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H18ClF2NO5/c1-27-16-8-13(19(26)28-2)15(9-17(16)29-20(22)23)24-18(25)12-7-11(12)10-5-3-4-6-14(10)21/h3-6,8-9,11-12,20H,7H2,1-2H3,(H,24,25)
InChIKeyDMRFBZXCLKPYTA-UHFFFAOYSA-N
MW425.82 g/mol
LogP4.48
Rot. Bonds7

About methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate

methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate (PubChem CID 55520233) has the molecular formula C20H18ClF2NO5 and a molecular weight of 425.82 g/mol. Its IUPAC name is methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate
PubChem CID55520233
Molecular FormulaC20H18ClF2NO5
Molecular Weight425.82 g/mol
Exact Mass425.08
IUPAC Namemethyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H18ClF2NO5/c1-27-16-8-13(19(26)28-2)15(9-17(16)29-20(22)23)24-18(25)12-7-11(12)10-5-3-4-6-14(10)21/h3-6,8-9,11-12,20H,7H2,1-2H3,(H,24,25)
InChIKeyDMRFBZXCLKPYTA-UHFFFAOYSA-N
XLogP4.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate with MolForge

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Related Compounds

methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoate
CID 97184245
N-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55906811
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
CID 52555320
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
2-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55689122
methyl 4-(difluoromethoxy)-5-methoxy-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55519935
2-(2-chlorophenyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 112819613
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519103
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
2-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 55477032
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The IUPAC name of methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate (CID 55520233) is methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The canonical SMILES for methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate is COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate?
The InChIKey is DMRFBZXCLKPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2NO5/c1-27-16-8-13(19(26)28-2)15(9-17(16)29-20(22)23)24-18(25)12-7-11(12)10-5-3-4-6-14(10)21/h3-6,8-9,11-12,20H,7H2,1-2H3,(H,24,25).
What are the key properties of methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate?
methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate has a molecular weight of 425.82 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate is sourced from PubChem (CID 55520233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).