N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide

C20H19FN2O4 — CID 119104126

IUPACN'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H19FN2O4/c1-26-18(17-10-14-4-2-3-5-16(14)27-17)12-23-20(25)19(24)22-11-13-6-8-15(21)9-7-13/h2-10,18H,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNBGFDTGNWVYVLW-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.69
Rot. Bonds6

About N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 119104126) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID119104126
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H19FN2O4/c1-26-18(17-10-14-4-2-3-5-16(14)27-17)12-23-20(25)19(24)22-11-13-6-8-15(21)9-7-13/h2-10,18H,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNBGFDTGNWVYVLW-UHFFFAOYSA-N
XLogP2.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 121021294
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 121021281
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 119104126) is N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide is COC(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is NBGFDTGNWVYVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-26-18(17-10-14-4-2-3-5-16(14)27-17)12-23-20(25)19(24)22-11-13-6-8-15(21)9-7-13/h2-10,18H,11-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 370.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 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]-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 119104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).