(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide

C15H12N4O — CID 22614183

IUPAC(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H12N4O/c20-15(9-6-11-4-2-1-3-5-11)16-12-7-8-13-14(10-12)18-19-17-13/h1-10H,(H,16,20)(H,17,18,19)/b9-6+
InChIKeyPXXTWAUAIGLCCG-RMKNXTFCSA-N
MW264.29 g/mol
LogP2.61
Rot. Bonds3

About (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide

(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide (PubChem CID 22614183) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide
PubChem CID22614183
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H12N4O/c20-15(9-6-11-4-2-1-3-5-11)16-12-7-8-13-14(10-12)18-19-17-13/h1-10H,(H,16,20)(H,17,18,19)/b9-6+
InChIKeyPXXTWAUAIGLCCG-RMKNXTFCSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
3-phenyl-N-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 4587182
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
CID 1370083
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
CID 114259316

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide (CID 22614183) is (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide?
The InChIKey is PXXTWAUAIGLCCG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(9-6-11-4-2-1-3-5-11)16-12-7-8-13-14(10-12)18-19-17-13/h1-10H,(H,16,20)(H,17,18,19)/b9-6+.
What are the key properties of (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide?
(E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 264.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2H-benzotriazol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 22614183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).