[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone

C23H19N5O2 — CID 6293650

IUPAC[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-19-13-11-18(12-14-19)28-22(25-26-27-28)15-16-24-21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-16,24H,1H3/b16-15-
InChIKeyGWOHEBLWGBICRF-NXVVXOECSA-N
MW397.44 g/mol
LogP3.98
Rot. Bonds7

About [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone

[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone (PubChem CID 6293650) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
PubChem CID6293650
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-19-13-11-18(12-14-19)28-22(25-26-27-28)15-16-24-21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-16,24H,1H3/b16-15-
InChIKeyGWOHEBLWGBICRF-NXVVXOECSA-N
XLogP3.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]-1-phenylprop-2-en-1-one
CID 2825455
3-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473863
Benzenamine, 4-methyl-N-[2-[1-(4-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5377685
3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473855
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-2-naphthamide
CID 16799191
N-{4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}benzamide
CID 8072868
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(trifluoromethyl)benzamide
CID 16799188
N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 71972945
Benzenamine, 2-methyl-N-[2-[1-(2-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5373556
methyl 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzoate
CID 5713212
(2Z)-3-(dimethylamino)-1-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)(1,2,3,4-tetra azol-5-yl)]prop-2-en-1-one
CID 2802087
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-3,3-diphenylpropanamide
CID 16799202

Frequently Asked Questions

What is the IUPAC name of [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The IUPAC name of [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone (CID 6293650) is [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone is COc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The InChIKey is GWOHEBLWGBICRF-NXVVXOECSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-19-13-11-18(12-14-19)28-22(25-26-27-28)15-16-24-21-10-6-5-9-20(21)23(29)17-7-3-2-4-8-17/h2-16,24H,1H3/b16-15-.
What are the key properties of [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
[2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone has a molecular weight of 397.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 6293650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).