methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

C16H12FN5O3 — CID 29136943

IUPACmethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H12FN5O3/c1-25-16(24)11-4-2-3-5-13(11)19-15(23)12-8-10(17)6-7-14(12)22-9-18-20-21-22/h2-9H,1H3,(H,19,23)
InChIKeyOTVBGXVAQPXUDW-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 29136943) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID29136943
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H12FN5O3/c1-25-16(24)11-4-2-3-5-13(11)19-15(23)12-8-10(17)6-7-14(12)22-9-18-20-21-22/h2-9H,1H3,(H,19,23)
InChIKeyOTVBGXVAQPXUDW-UHFFFAOYSA-N
XLogP1.84
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 42580732
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 29136943) is methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is OTVBGXVAQPXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c1-25-16(24)11-4-2-3-5-13(11)19-15(23)12-8-10(17)6-7-14(12)22-9-18-20-21-22/h2-9H,1H3,(H,19,23).
What are the key properties of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 341.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 29136943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).