N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C19H18FNO3 — CID 9462623

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H18FNO3/c1-3-21(12-13-8-9-17(23-2)15(20)10-13)19(22)18-11-14-6-4-5-7-16(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyFEPNJXLNQAAQTH-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.24
Rot. Bonds5

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9462623) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9462623
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H18FNO3/c1-3-21(12-13-8-9-17(23-2)15(20)10-13)19(22)18-11-14-6-4-5-7-16(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyFEPNJXLNQAAQTH-UHFFFAOYSA-N
XLogP4.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-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

N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 46437931
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9462623) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FEPNJXLNQAAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-3-21(12-13-8-9-17(23-2)15(20)10-13)19(22)18-11-14-6-4-5-7-16(14)24-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9462623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).