methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate

C15H12F2N2O3 — CID 134104777

IUPACmethyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-14(20)12-8-10(17)5-6-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21)
InChIKeyWVDCSUSXGYWGHR-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.40
Rot. Bonds3

About methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate

methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate (PubChem CID 134104777) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
PubChem CID134104777
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Namemethyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-14(20)12-8-10(17)5-6-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21)
InChIKeyWVDCSUSXGYWGHR-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
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methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate (CID 134104777) is methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate is COC(=O)c1cc(F)ccc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate?
The InChIKey is WVDCSUSXGYWGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-22-14(20)12-8-10(17)5-6-13(12)19-15(21)18-11-4-2-3-9(16)7-11/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate?
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate has a molecular weight of 306.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 134104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).