ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate

C18H19FN2O3 — CID 108897590

IUPACethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-24-17(22)14-9-7-13(8-10-14)11-20-18(23)21-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H2,20,21,23)
InChIKeyYZRDYLWQHYQFBA-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.00
Rot. Bonds6

About ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate

ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate (PubChem CID 108897590) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
PubChem CID108897590
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nameethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-24-17(22)14-9-7-13(8-10-14)11-20-18(23)21-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H2,20,21,23)
InChIKeyYZRDYLWQHYQFBA-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
CID 32887884
ethyl 4-[[(2-methylphenyl)carbamoylamino]methyl]benzoate
CID 108894223
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
ethyl 4-[(pentan-3-ylcarbamoylamino)methyl]benzoate
CID 108888411
ethane;methyl 2-[(4-ethoxycarbonylphenyl)methylcarbamoylamino]benzoate;molecular hydrogen
CID 144718509
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
ethyl 4-[[(4-methylphenoxy)methylcarbamoylamino]methyl]benzoate
CID 108893112

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate (CID 108897590) is ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate?
The InChIKey is YZRDYLWQHYQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-24-17(22)14-9-7-13(8-10-14)11-20-18(23)21-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate?
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate has a molecular weight of 330.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate is sourced from PubChem (CID 108897590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).