N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide

C19H18FNO3 — CID 177320378

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2cc(CCO)oc2c1
InChIInChI=1S/C19H18FNO3/c20-16-5-1-13(2-6-16)7-9-21-19(23)15-4-3-14-11-17(8-10-22)24-18(14)12-15/h1-6,11-12,22H,7-10H2,(H,21,23)
InChIKeyAMBMBSGNLRJAGR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide (PubChem CID 177320378) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide
PubChem CID177320378
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2cc(CCO)oc2c1
InChIInChI=1S/C19H18FNO3/c20-16-5-1-13(2-6-16)7-9-21-19(23)15-4-3-14-11-17(8-10-22)24-18(14)12-15/h1-6,11-12,22H,7-10H2,(H,21,23)
InChIKeyAMBMBSGNLRJAGR-UHFFFAOYSA-N
XLogP3.08
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide 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

2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol
CID 177267044
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis(6-hydroxyhexyl)benzene-1,3-dicarboxamide
CID 100967196
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide (CID 177320378) is N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc2cc(CCO)oc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide?
The InChIKey is AMBMBSGNLRJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-16-5-1-13(2-6-16)7-9-21-19(23)15-4-3-14-11-17(8-10-22)24-18(14)12-15/h1-6,11-12,22H,7-10H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 177320378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).