(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide

C19H14N4O2 — CID 727009

IUPAC(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9+
InChIKeyAFSRQATYLSSREW-PKNBQFBNSA-N
MW330.35 g/mol
LogP3.67
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide (PubChem CID 727009) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
PubChem CID727009
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9+
InChIKeyAFSRQATYLSSREW-PKNBQFBNSA-N
XLogP3.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.67
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

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
CID 876205
5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide
CID 759619
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
(E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
CID 1343565
(2E)-3-(furan-2-yl)-N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
CID 1343704
N-[2-(3,4-dimethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-(2-furyl)acrylamide
CID 1365360
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide
CID 654071

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide (CID 727009) is (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The InChIKey is AFSRQATYLSSREW-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide has a molecular weight of 330.35 g/mol, XLogP of 3.67, 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-phenylbenzotriazol-5-yl)prop-2-enamide is sourced from PubChem (CID 727009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).