3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate

C16H12F2NO3- — CID 86307324

IUPAC3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
SMILESCCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1F
InChIInChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyZBCMEMCAMPNWSE-UHFFFAOYSA-M
MW304.27 g/mol
LogP1.75
Rot. Bonds4

About 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate

3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate (PubChem CID 86307324) has the molecular formula C16H12F2NO3- and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate.

Molecular Properties

Compound Name3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
PubChem CID86307324
Molecular FormulaC16H12F2NO3-
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
SMILESCCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1F
InChIInChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyZBCMEMCAMPNWSE-UHFFFAOYSA-M
XLogP1.75
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate 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

4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380
4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide
CID 53220202
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
CID 53224372
N-ethyl-2-fluoro-4-(4-oxo-1H-pyridin-2-yl)benzamide
CID 53229627
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
CID 90060790
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
4-azido-N-ethyl-2-fluorobenzamide
CID 140535519
N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
CID 56704912
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate?
The IUPAC name of 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate (CID 86307324) is 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate.
What is the SMILES notation for 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate?
The canonical SMILES for 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate is CCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1F.
What is the InChIKey of 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate?
The InChIKey is ZBCMEMCAMPNWSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate?
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate has a molecular weight of 304.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate is sourced from PubChem (CID 86307324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).