N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide

C19H13NO3 — CID 127025083

IUPACN-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(C#Cc3ccccc3)cc2)o1
InChIInChI=1S/C19H13NO3/c21-19(20-22)18-13-12-17(23-18)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,22H,(H,20,21)
InChIKeyJQWLZNSLHYEUQZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.47
Rot. Bonds2

About N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide

N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide (PubChem CID 127025083) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide
PubChem CID127025083
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC NameN-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(C#Cc3ccccc3)cc2)o1
InChIInChI=1S/C19H13NO3/c21-19(20-22)18-13-12-17(23-18)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,22H,(H,20,21)
InChIKeyJQWLZNSLHYEUQZ-UHFFFAOYSA-N
XLogP3.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
5-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-(4-aminobutyl)-5-[4-(3-aminoprop-1-ynyl)phenyl]furan-2-carboxamide
CID 172548816
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 3897554
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
5-[4-(benzoylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91688386
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide (CID 127025083) is N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide is O=C(NO)c1ccc(-c2ccc(C#Cc3ccccc3)cc2)o1.
What is the InChIKey of N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide?
The InChIKey is JQWLZNSLHYEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-19(20-22)18-13-12-17(23-18)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,22H,(H,20,21).
What are the key properties of N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide?
N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-(2-phenylethynyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 127025083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).