(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide

C23H16N4O2 — CID 1047504

IUPAC(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C23H16N4O2/c28-23(13-11-18-7-4-14-29-18)24-17-10-12-20-21(15-17)26-27(25-20)22-9-3-6-16-5-1-2-8-19(16)22/h1-15H,(H,24,28)/b13-11+
InChIKeyIFSBDLDBDOUIOK-ACCUITESSA-N
MW380.41 g/mol
LogP4.82
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide (PubChem CID 1047504) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
PubChem CID1047504
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C23H16N4O2/c28-23(13-11-18-7-4-14-29-18)24-17-10-12-20-21(15-17)26-27(25-20)22-9-3-6-16-5-1-2-8-19(16)22/h1-15H,(H,24,28)/b13-11+
InChIKeyIFSBDLDBDOUIOK-ACCUITESSA-N
XLogP4.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
CID 1362350
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1329870
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 2298596
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109866
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide
CID 17315052
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide (CID 1047504) is (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide?
The InChIKey is IFSBDLDBDOUIOK-ACCUITESSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-23(13-11-18-7-4-14-29-18)24-17-10-12-20-21(15-17)26-27(25-20)22-9-3-6-16-5-1-2-8-19(16)22/h1-15H,(H,24,28)/b13-11+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide has a molecular weight of 380.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide is sourced from PubChem (CID 1047504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).