1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone

C17H14ClN5O — CID 20786923

IUPAC1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClN5O/c1-12(24)13-3-2-4-15(11-13)19-10-9-17-20-21-22-23(17)16-7-5-14(18)6-8-16/h2-11,19H,1H3/b10-9-
InChIKeyJOIKXMJSQZPLCB-KTKRTIGZSA-N
MW339.79 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone

1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone (PubChem CID 20786923) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
PubChem CID20786923
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClN5O/c1-12(24)13-3-2-4-15(11-13)19-10-9-17-20-21-22-23(17)16-7-5-14(18)6-8-16/h2-11,19H,1H3/b10-9-
InChIKeyJOIKXMJSQZPLCB-KTKRTIGZSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone (CID 20786923) is 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone is CC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The InChIKey is JOIKXMJSQZPLCB-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-12(24)13-3-2-4-15(11-13)19-10-9-17-20-21-22-23(17)16-7-5-14(18)6-8-16/h2-11,19H,1H3/b10-9-.
What are the key properties of 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone has a molecular weight of 339.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone is sourced from PubChem (CID 20786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).