N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide

C18H14FN3O4 — CID 18587357

IUPACN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O4/c19-11-7-5-10(6-8-11)9-21-17(24)18(25)22-14-12-3-1-2-4-13(12)26-15(14)16(20)23/h1-8H,9H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeySSUNSAHOXLUYBN-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.93
Rot. Bonds4

About N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide

N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 18587357) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID18587357
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O4/c19-11-7-5-10(6-8-11)9-21-17(24)18(25)22-14-12-3-1-2-4-13(12)26-15(14)16(20)23/h1-8H,9H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeySSUNSAHOXLUYBN-UHFFFAOYSA-N
XLogP1.93
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
CID 18587361
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 18587367
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810

Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide (CID 18587357) is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide is NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is SSUNSAHOXLUYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-11-7-5-10(6-8-11)9-21-17(24)18(25)22-14-12-3-1-2-4-13(12)26-15(14)16(20)23/h1-8H,9H2,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 355.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 18587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).