methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate

C20H19FN2O4 — CID 109136126

IUPACmethyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)13-4-8-15(9-5-13)23-19(25)17-10-16(17)18(24)22-11-12-2-6-14(21)7-3-12/h2-9,16-17H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNCQUWAGRSTVNC-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.50
Rot. Bonds6

About methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109136126) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109136126
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)13-4-8-15(9-5-13)23-19(25)17-10-16(17)18(24)22-11-12-2-6-14(21)7-3-12/h2-9,16-17H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyDNCQUWAGRSTVNC-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
methyl 4-[[6-(benzylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoate
CID 18873801
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136136
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136698
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109136126) is methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is DNCQUWAGRSTVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-27-20(26)13-4-8-15(9-5-13)23-19(25)17-10-16(17)18(24)22-11-12-2-6-14(21)7-3-12/h2-9,16-17H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 370.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).