N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C22H23FN2O4 — CID 8960631

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C22H23FN2O4/c1-4-25(13-20(26)24-12-15-5-7-16(23)8-6-15)22(27)21-14(2)18-11-17(28-3)9-10-19(18)29-21/h5-11H,4,12-13H2,1-3H3,(H,24,26)
InChIKeyNFMMHKXAWQSEAD-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.67
Rot. Bonds7

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8960631) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8960631
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C22H23FN2O4/c1-4-25(13-20(26)24-12-15-5-7-16(23)8-6-15)22(27)21-14(2)18-11-17(28-3)9-10-19(18)29-21/h5-11H,4,12-13H2,1-3H3,(H,24,26)
InChIKeyNFMMHKXAWQSEAD-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225
[2-(4-fluoroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270348
5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8820536
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8960631) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NFMMHKXAWQSEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-4-25(13-20(26)24-12-15-5-7-16(23)8-6-15)22(27)21-14(2)18-11-17(28-3)9-10-19(18)29-21/h5-11H,4,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).