N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C20H20FNO3 — CID 47047870

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C20H20FNO3/c1-4-22(12-14-6-5-7-15(21)10-14)20(23)19-13(2)25-18-9-8-16(24-3)11-17(18)19/h5-11H,4,12H2,1-3H3
InChIKeyLTCYHXCLWATWGS-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 47047870) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID47047870
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C20H20FNO3/c1-4-22(12-14-6-5-7-15(21)10-14)20(23)19-13(2)25-18-9-8-16(24-3)11-17(18)19/h5-11H,4,12H2,1-3H3
InChIKeyLTCYHXCLWATWGS-UHFFFAOYSA-N
XLogP4.55
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 47047818
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18285291
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46538497
tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
CID 60558098
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 47047870) is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2ccc(OC)cc12.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LTCYHXCLWATWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-4-22(12-14-6-5-7-15(21)10-14)20(23)19-13(2)25-18-9-8-16(24-3)11-17(18)19/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 4.55, 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-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 47047870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).