N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide

C22H23FN2O4 — CID 55840025

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCOc1cccc(F)c1
InChIInChI=1S/C22H23FN2O4/c1-14(25(3)11-12-28-17-8-6-7-16(23)13-17)22(27)24-20-18-9-4-5-10-19(18)29-21(20)15(2)26/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyDWWLRBLJHBDUPH-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.11
Rot. Bonds8

About N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide (PubChem CID 55840025) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
PubChem CID55840025
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCOc1cccc(F)c1
InChIInChI=1S/C22H23FN2O4/c1-14(25(3)11-12-28-17-8-6-7-16(23)13-17)22(27)24-20-18-9-4-5-10-19(18)29-21(20)15(2)26/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyDWWLRBLJHBDUPH-UHFFFAOYSA-N
XLogP4.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496772
N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide
CID 55841599
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8516163
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide (CID 55840025) is N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide is CC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCOc1cccc(F)c1.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The InChIKey is DWWLRBLJHBDUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-14(25(3)11-12-28-17-8-6-7-16(23)13-17)22(27)24-20-18-9-4-5-10-19(18)29-21(20)15(2)26/h4-10,13-14H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide has a molecular weight of 398.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide is sourced from PubChem (CID 55840025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).