methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate

C15H13FN2O3 — CID 6466215

IUPACmethyl 4-[(3-fluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-14(19)10-5-7-12(8-6-10)17-15(20)18-13-4-2-3-11(16)9-13/h2-9H,1H3,(H2,17,18,20)
InChIKeyDVKHNJWYDRJVDF-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.26
Rot. Bonds3

About methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate

methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate (PubChem CID 6466215) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-fluorophenyl)carbamoylamino]benzoate
PubChem CID6466215
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 4-[(3-fluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-14(19)10-5-7-12(8-6-10)17-15(20)18-13-4-2-3-11(16)9-13/h2-9H,1H3,(H2,17,18,20)
InChIKeyDVKHNJWYDRJVDF-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate (CID 6466215) is methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate?
The InChIKey is DVKHNJWYDRJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-14(19)10-5-7-12(8-6-10)17-15(20)18-13-4-2-3-11(16)9-13/h2-9H,1H3,(H2,17,18,20).
What are the key properties of methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate?
methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate has a molecular weight of 288.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-fluorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 6466215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).