N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide

C21H22ClNO4 — CID 121021275

IUPACN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C21H22ClNO4/c1-21(2,27-16-10-8-15(22)9-11-16)20(24)23-13-19(25-3)18-12-14-6-4-5-7-17(14)26-18/h4-12,19H,13H2,1-3H3,(H,23,24)
InChIKeyFLTUOZXTHADILG-UHFFFAOYSA-N
MW387.86 g/mol
LogP4.75
Rot. Bonds7

About N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 121021275) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID121021275
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C21H22ClNO4/c1-21(2,27-16-10-8-15(22)9-11-16)20(24)23-13-19(25-3)18-12-14-6-4-5-7-17(14)26-18/h4-12,19H,13H2,1-3H3,(H,23,24)
InChIKeyFLTUOZXTHADILG-UHFFFAOYSA-N
XLogP4.75
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 121021275) is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide is COC(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is FLTUOZXTHADILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c1-21(2,27-16-10-8-15(22)9-11-16)20(24)23-13-19(25-3)18-12-14-6-4-5-7-17(14)26-18/h4-12,19H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 387.86 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 121021275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).