N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide

C14H11NO3 — CID 60803102

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1ccco1
InChIInChI=1S/C14H11NO3/c16-9-1-3-11-5-7-12(8-6-11)15-14(17)13-4-2-10-18-13/h2,4-8,10,16H,9H2,(H,15,17)
InChIKeyCHKCSLZURSFLRP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.88
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (PubChem CID 60803102) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
PubChem CID60803102
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1ccco1
InChIInChI=1S/C14H11NO3/c16-9-1-3-11-5-7-12(8-6-11)15-14(17)13-4-2-10-18-13/h2,4-8,10,16H,9H2,(H,15,17)
InChIKeyCHKCSLZURSFLRP-UHFFFAOYSA-N
XLogP1.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803966

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (CID 60803102) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(C#CCO)cc1)c1ccco1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The InChIKey is CHKCSLZURSFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-9-1-3-11-5-7-12(8-6-11)15-14(17)13-4-2-10-18-13/h2,4-8,10,16H,9H2,(H,15,17).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 60803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).