phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate

C17H13ClFNO3 — CID 23289180

IUPACphenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate
SMILESCCc1cc2c(Cl)cc(F)c(NC(=O)Oc3ccccc3)c2o1
InChIInChI=1S/C17H13ClFNO3/c1-2-10-8-12-13(18)9-14(19)15(16(12)22-10)20-17(21)23-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,20,21)
InChIKeyXLRAXSSHJGIBNR-UHFFFAOYSA-N
MW333.75 g/mol
LogP5.40
Rot. Bonds3

About phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate

phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate (PubChem CID 23289180) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate
PubChem CID23289180
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Namephenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate
SMILESCCc1cc2c(Cl)cc(F)c(NC(=O)Oc3ccccc3)c2o1
InChIInChI=1S/C17H13ClFNO3/c1-2-10-8-12-13(18)9-14(19)15(16(12)22-10)20-17(21)23-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,20,21)
InChIKeyXLRAXSSHJGIBNR-UHFFFAOYSA-N
XLogP5.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.75
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate?
The IUPAC name of phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate (CID 23289180) is phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate?
The canonical SMILES for phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate is CCc1cc2c(Cl)cc(F)c(NC(=O)Oc3ccccc3)c2o1.
What is the InChIKey of phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate?
The InChIKey is XLRAXSSHJGIBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c1-2-10-8-12-13(18)9-14(19)15(16(12)22-10)20-17(21)23-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate?
phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate has a molecular weight of 333.75 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-chloro-2-ethyl-6-fluoro-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 23289180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).