N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide

C15H12N4O2 — CID 57202084

IUPACN-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2nn(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C15H12N4O2/c1-2-15(21)16-10-3-8-13-14(9-10)18-19(17-13)11-4-6-12(20)7-5-11/h2-9,20H,1H2,(H,16,21)
InChIKeyRKLVHAKXPSXDCG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.25
Rot. Bonds3

About N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide

N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide (PubChem CID 57202084) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
PubChem CID57202084
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2nn(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C15H12N4O2/c1-2-15(21)16-10-3-8-13-14(9-10)18-19(17-13)11-4-6-12(20)7-5-11/h2-9,20H,1H2,(H,16,21)
InChIKeyRKLVHAKXPSXDCG-UHFFFAOYSA-N
XLogP2.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
4-oxo-4-[(2-phenylbenzotriazol-5-yl)amino]but-2-enoate
CID 6935967
2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
CID 141419786
N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
CID 167921326
(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17219741
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787
(E)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1369419
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
CID 1370083
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
CID 807150

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide (CID 57202084) is N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2nn(-c3ccc(O)cc3)nc2c1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide?
The InChIKey is RKLVHAKXPSXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-2-15(21)16-10-3-8-13-14(9-10)18-19(17-13)11-4-6-12(20)7-5-11/h2-9,20H,1H2,(H,16,21).
What are the key properties of N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide?
N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide has a molecular weight of 280.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide is sourced from PubChem (CID 57202084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).