ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

C17H14FN5O3 — CID 42582130

IUPACethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1
InChIInChI=1S/C17H14FN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-9-12(18)5-8-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyBADXQBMNMUQNNN-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.23
Rot. Bonds5

About ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 42582130) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID42582130
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Nameethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1
InChIInChI=1S/C17H14FN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-9-12(18)5-8-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyBADXQBMNMUQNNN-UHFFFAOYSA-N
XLogP2.23
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 42582130) is ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1.
What is the InChIKey of ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is BADXQBMNMUQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-9-12(18)5-8-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 355.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 42582130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).