methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C19H16F2N2O4 — CID 109143902

IUPACmethyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-27-19(26)10-2-5-12(6-3-10)22-17(24)13-9-14(13)18(25)23-16-7-4-11(20)8-15(16)21/h2-8,13-14H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyRQMIUCJNKZPEEJ-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.96
Rot. Bonds5

About methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109143902) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109143902
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Namemethyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-27-19(26)10-2-5-12(6-3-10)22-17(24)13-9-14(13)18(25)23-16-7-4-11(20)8-15(16)21/h2-8,13-14H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyRQMIUCJNKZPEEJ-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

2-N-(4-acetylphenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143805
1-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142120
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143638
1-N-(2,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141721
2-N-(3,4-dichlorophenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144113
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143912

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109143902) is methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is RQMIUCJNKZPEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-27-19(26)10-2-5-12(6-3-10)22-17(24)13-9-14(13)18(25)23-16-7-4-11(20)8-15(16)21/h2-8,13-14H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 374.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109143902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).