ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate

C18H16F4N2O3 — CID 3733924

IUPACethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C18H16F4N2O3/c1-2-27-16(25)11-4-3-5-14(8-11)24-17(26)23-10-12-6-7-13(9-15(12)19)18(20,21)22/h3-9H,2,10H2,1H3,(H2,23,24,26)
InChIKeyYOUXJBSSRHBMTE-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.34
Rot. Bonds5

About ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate

ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate (PubChem CID 3733924) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
PubChem CID3733924
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Nameethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C18H16F4N2O3/c1-2-27-16(25)11-4-3-5-14(8-11)24-17(26)23-10-12-6-7-13(9-15(12)19)18(20,21)22/h3-9H,2,10H2,1H3,(H2,23,24,26)
InChIKeyYOUXJBSSRHBMTE-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]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

methyl 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
CID 3591060
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003
1-(3,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687858
1-(3,5-dimethoxyphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3704800
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 3-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951432
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-(2-bromoethylcarbamoylamino)benzoate
CID 11324499
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate?
The IUPAC name of ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate (CID 3733924) is ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)NCc2ccc(C(F)(F)F)cc2F)c1.
What is the InChIKey of ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate?
The InChIKey is YOUXJBSSRHBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-2-27-16(25)11-4-3-5-14(8-11)24-17(26)23-10-12-6-7-13(9-15(12)19)18(20,21)22/h3-9H,2,10H2,1H3,(H2,23,24,26).
What are the key properties of ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate?
ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate has a molecular weight of 384.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate is sourced from PubChem (CID 3733924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).