N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide

C20H15N5O3 — CID 46576505

IUPACN-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H15N5O3/c26-19(17-13-25(24-23-17)16-8-2-1-3-9-16)21-14-6-4-7-15(12-14)22-20(27)18-10-5-11-28-18/h1-13H,(H,21,26)(H,22,27)
InChIKeyLXRFAMMKYMLRFV-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.36
Rot. Bonds5

About N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide

N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide (PubChem CID 46576505) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
PubChem CID46576505
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC NameN-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H15N5O3/c26-19(17-13-25(24-23-17)16-8-2-1-3-9-16)21-14-6-4-7-15(12-14)22-20(27)18-10-5-11-28-18/h1-13H,(H,21,26)(H,22,27)
InChIKeyLXRFAMMKYMLRFV-UHFFFAOYSA-N
XLogP3.36
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
CID 110888994
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 53368628
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
CID 47045295
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 87028248
1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 24627598

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide (CID 46576505) is N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide is O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is LXRFAMMKYMLRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-19(17-13-25(24-23-17)16-8-2-1-3-9-16)21-14-6-4-7-15(12-14)22-20(27)18-10-5-11-28-18/h1-13H,(H,21,26)(H,22,27).
What are the key properties of N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide?
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46576505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).