N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 76779904

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
SMILESCCCC(NC(=O)c1cc2ccccc2o1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N2O4/c1-2-5-16(13-8-10-14(11-9-13)19(23)22-25)21-20(24)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-12,16,25H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyBXJCAHVLKAKQON-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.82
Rot. Bonds6

About N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide (PubChem CID 76779904) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
PubChem CID76779904
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
SMILESCCCC(NC(=O)c1cc2ccccc2o1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N2O4/c1-2-5-16(13-8-10-14(11-9-13)19(23)22-25)21-20(24)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-12,16,25H,2,5H2,1H3,(H,21,24)(H,22,23)
InChIKeyBXJCAHVLKAKQON-UHFFFAOYSA-N
XLogP3.82
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 132650331
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
CID 113496418
4-[1-(tert-butylcarbamoylamino)butyl]-N-hydroxybenzamide
CID 123395547
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide (CID 76779904) is N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide is CCCC(NC(=O)c1cc2ccccc2o1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide?
The InChIKey is BXJCAHVLKAKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-5-16(13-8-10-14(11-9-13)19(23)22-25)21-20(24)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-12,16,25H,2,5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 76779904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).