N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

C27H20N2O3 — CID 24618603

IUPACN-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C27H20N2O3/c30-26(23-14-10-21(11-15-23)9-8-20-5-2-1-3-6-20)28-19-22-12-16-24(17-13-22)29-27(31)25-7-4-18-32-25/h1-7,10-18H,19H2,(H,28,30)(H,29,31)
InChIKeyIZTJISLAZDIDJZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 24618603) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID24618603
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC NameN-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C27H20N2O3/c30-26(23-14-10-21(11-15-23)9-8-20-5-2-1-3-6-20)28-19-22-12-16-24(17-13-22)29-27(31)25-7-4-18-32-25/h1-7,10-18H,19H2,(H,28,30)(H,29,31)
InChIKeyIZTJISLAZDIDJZ-UHFFFAOYSA-N
XLogP4.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.86
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-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (CID 24618603) is N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is IZTJISLAZDIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3/c30-26(23-14-10-21(11-15-23)9-8-20-5-2-1-3-6-20)28-19-22-12-16-24(17-13-22)29-27(31)25-7-4-18-32-25/h1-7,10-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24618603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).