(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide

C21H18N4O2 — CID 1365360

IUPAC(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1C
InChIInChI=1S/C21H18N4O2/c1-14-5-7-17(12-15(14)2)25-23-19-9-6-16(13-20(19)24-25)22-21(26)10-8-18-4-3-11-27-18/h3-13H,1-2H3,(H,22,26)/b10-8+
InChIKeySJOSHFXQCFPBPE-CSKARUKUSA-N
MW358.40 g/mol
LogP4.28
Rot. Bonds4

About (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 1365360) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID1365360
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1C
InChIInChI=1S/C21H18N4O2/c1-14-5-7-17(12-15(14)2)25-23-19-9-6-16(13-20(19)24-25)22-21(26)10-8-18-4-3-11-27-18/h3-13H,1-2H3,(H,22,26)/b10-8+
InChIKeySJOSHFXQCFPBPE-CSKARUKUSA-N
XLogP4.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.28
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-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
3-Furan-2-yl-N-(2-phenyl-2H-benzotriazol-5-yl)-acrylamide
CID 727009
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104245
(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-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-phenylacetamide
CID 1372492
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-(3-methylbutoxy)benzamide
CID 15991055
N-[6-Methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-YL]-5-phenylfuran-2-carboxamide
CID 15991067

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide (CID 1365360) is (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide is Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1C.
What is the InChIKey of (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SJOSHFXQCFPBPE-CSKARUKUSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-5-7-17(12-15(14)2)25-23-19-9-6-16(13-20(19)24-25)22-21(26)10-8-18-4-3-11-27-18/h3-13H,1-2H3,(H,22,26)/b10-8+.
What are the key properties of (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 1365360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).