methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate

C17H22ClN3O4 — CID 109133766

IUPACmethyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H22ClN3O4/c1-21(2)7-6-19-15(22)11-9-12(11)16(23)20-14-8-10(17(24)25-3)4-5-13(14)18/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPRFOPIMVBNDVKL-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.38
Rot. Bonds7

About methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109133766) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109133766
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Namemethyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H22ClN3O4/c1-21(2)7-6-19-15(22)11-9-12(11)16(23)20-14-8-10(17(24)25-3)4-5-13(14)18/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPRFOPIMVBNDVKL-UHFFFAOYSA-N
XLogP1.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[2-(dimethylamino)ethylcarbamoylamino]benzoate
CID 108988233
methyl 4-chloro-3-[[1-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108973530
methyl 4-chloro-3-[[3-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960305
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143912
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
methyl 4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoate
CID 108995150
1-N-(2,5-dichlorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130599
methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140447
2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109133790
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109133766) is methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)NCCN(C)C)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is PRFOPIMVBNDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-21(2)7-6-19-15(22)11-9-12(11)16(23)20-14-8-10(17(24)25-3)4-5-13(14)18/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 367.83 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109133766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).