methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate

C17H14ClN5O2 — CID 10043795

IUPACmethyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-25-17(24)14-4-2-3-5-15(14)19-11-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-11,19H,1H3/b11-10-
InChIKeyQTDDJKBCYLDYKD-KHPPLWFESA-N
MW355.79 g/mol
LogP3.19
Rot. Bonds5

About methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate

methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate (PubChem CID 10043795) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
PubChem CID10043795
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Namemethyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-25-17(24)14-4-2-3-5-15(14)19-11-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-11,19H,1H3/b11-10-
InChIKeyQTDDJKBCYLDYKD-KHPPLWFESA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-(5-methyl-1H-tetrazol-1-yl)benzoate
CID 3761737
4-chloro-2-[[(Z)-3-(4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]-3-oxoprop-1-enyl]amino]benzoic acid
CID 5836032
2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoic acid
CID 5897510
methyl 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzoate
CID 5713212
2-[[(E)-2-[1-(4-ethylphenyl)tetrazol-5-yl]ethenyl]amino]benzoic acid
CID 5901365
(1-Phenyltetrazol-5-yl)methyl 2-amino-4-chlorobenzoate
CID 41553739
Methyl 2-[[1-[2-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]amino]-5-chlorobenzoate
CID 174626836
2-[2-[1-(4-Fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 2729160
2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 7195875
2-({(1Z)-2-[1-(4-fluorophenyl)(1,2,3,4-tetraazol-5-yl)]vinyl}amino)benzoic aci d
CID 18531452
2-({(1Z)-3-(4-fluorophenyl)-2-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-yl)]-3-o xoprop-1-enyl}amino)-4-chlorobenzoic acid
CID 27055961
2-({(1E)-2-[1-(4-fluorophenyl)(1,2,3,4-tetraazol-5-yl)]vinyl}amino)-4-chlorobe nzoic acid
CID 27126528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The IUPAC name of methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate (CID 10043795) is methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate is COC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The InChIKey is QTDDJKBCYLDYKD-KHPPLWFESA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-25-17(24)14-4-2-3-5-15(14)19-11-10-16-20-21-22-23(16)13-8-6-12(18)7-9-13/h2-11,19H,1H3/b11-10-.
What are the key properties of methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate has a molecular weight of 355.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate is sourced from PubChem (CID 10043795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).