N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide

C20H20FN3O3 — CID 86847017

IUPACN'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)Nc2ccccc2N(C)C)oc2ccc(F)cc12
InChIInChI=1S/C20H20FN3O3/c1-12-14-10-13(21)8-9-17(14)27-18(12)11-22-19(25)20(26)23-15-6-4-5-7-16(15)24(2)3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKAYPFMMUWLPUNJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.20
Rot. Bonds4

About N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide

N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide (PubChem CID 86847017) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide
PubChem CID86847017
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)Nc2ccccc2N(C)C)oc2ccc(F)cc12
InChIInChI=1S/C20H20FN3O3/c1-12-14-10-13(21)8-9-17(14)27-18(12)11-22-19(25)20(26)23-15-6-4-5-7-16(15)24(2)3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKAYPFMMUWLPUNJ-UHFFFAOYSA-N
XLogP3.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide (CID 86847017) is N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide is Cc1c(CNC(=O)C(=O)Nc2ccccc2N(C)C)oc2ccc(F)cc12.
What is the InChIKey of N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide?
The InChIKey is KAYPFMMUWLPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12-14-10-13(21)8-9-17(14)27-18(12)11-22-19(25)20(26)23-15-6-4-5-7-16(15)24(2)3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide?
N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide has a molecular weight of 369.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide is sourced from PubChem (CID 86847017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).