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

C19H21FN2O3 — CID 108902202

IUPACethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-25-18(23)16-7-3-15(4-8-16)13-22-19(24)21-12-11-14-5-9-17(20)10-6-14/h3-10H,2,11-13H2,1H3,(H2,21,22,24)
InChIKeyFMCXVVMXPOOULS-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.04
Rot. Bonds7

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

ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate (PubChem CID 108902202) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
PubChem CID108902202
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Nameethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-25-18(23)16-7-3-15(4-8-16)13-22-19(24)21-12-11-14-5-9-17(20)10-6-14/h3-10H,2,11-13H2,1H3,(H2,21,22,24)
InChIKeyFMCXVVMXPOOULS-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914898
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]methyl]benzoate
CID 108864585
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
CID 108897590
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate?
The IUPAC name of ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate (CID 108902202) is ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate?
The InChIKey is FMCXVVMXPOOULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-25-18(23)16-7-3-15(4-8-16)13-22-19(24)21-12-11-14-5-9-17(20)10-6-14/h3-10H,2,11-13H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate?
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate has a molecular weight of 344.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate is sourced from PubChem (CID 108902202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).