N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide

C21H14N4O2 — CID 1362350

IUPACN-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccco1
InChIInChI=1S/C21H14N4O2/c26-21(20-9-4-12-27-20)22-15-10-11-17-18(13-15)24-25(23-17)19-8-3-6-14-5-1-2-7-16(14)19/h1-13H,(H,22,26)
InChIKeyFEZCPNDEKJJITF-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.42
Rot. Bonds3

About N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide

N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide (PubChem CID 1362350) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
PubChem CID1362350
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC NameN-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccco1
InChIInChI=1S/C21H14N4O2/c26-21(20-9-4-12-27-20)22-15-10-11-17-18(13-15)24-25(23-17)19-8-3-6-14-5-1-2-7-16(14)19/h1-13H,(H,22,26)
InChIKeyFEZCPNDEKJJITF-UHFFFAOYSA-N
XLogP4.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
CID 1047504
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-phenylmethoxybenzamide
CID 17314524
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 3525566

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide (CID 1362350) is N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccco1.
What is the InChIKey of N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide?
The InChIKey is FEZCPNDEKJJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21(20-9-4-12-27-20)22-15-10-11-17-18(13-15)24-25(23-17)19-8-3-6-14-5-1-2-7-16(14)19/h1-13H,(H,22,26).
What are the key properties of N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide?
N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1362350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).