N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide

C18H14N4O2 — CID 645142

IUPACN-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1
InChIInChI=1S/C18H14N4O2/c23-18(17-6-3-11-24-17)19-14-9-7-13(8-10-14)12-22-16-5-2-1-4-15(16)20-21-22/h1-11H,12H2,(H,19,23)
InChIKeyWLPSXYIYSILZBQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.32
Rot. Bonds4

About N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide

N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 645142) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID645142
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1
InChIInChI=1S/C18H14N4O2/c23-18(17-6-3-11-24-17)19-14-9-7-13(8-10-14)12-22-16-5-2-1-4-15(16)20-21-22/h1-11H,12H2,(H,19,23)
InChIKeyWLPSXYIYSILZBQ-UHFFFAOYSA-N
XLogP3.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-m-tolyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 645895
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide
CID 647425
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 647835
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-propan-2-ylamino]-2-(2,5-dimethoxyphenyl)-N-(2-furanylmethyl)acetamide
CID 649146
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-2-(4-fluoro-phenyl)-N-furan-2-ylmethyl-acetamide
CID 649285
2-[(2-Benzotriazol-1-yl-acetyl)-indan-5-yl-amino]-2-furan-2-yl-N-furan-2-ylmethyl-acetamide
CID 649868
2-[(2-Benzotriazol-1-yl-acetyl)-(2,5-dimethyl-phenyl)-amino]-2-furan-2-yl-N-(2-methoxy-ethyl)-acetamide
CID 649928
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 650168
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-cyclohexyl-2-(4-fluoro-phenyl)-acetamide
CID 651373

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide (CID 645142) is N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1.
What is the InChIKey of N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is WLPSXYIYSILZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(17-6-3-11-24-17)19-14-9-7-13(8-10-14)12-22-16-5-2-1-4-15(16)20-21-22/h1-11H,12H2,(H,19,23).
What are the key properties of N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide?
N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzotriazol-1-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 645142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).