5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

C17H16FN5O4 — CID 42571629

IUPAC5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc(OC)c1OC
InChIInChI=1S/C17H16FN5O4/c1-25-14-7-11(8-15(26-2)16(14)27-3)20-17(24)12-6-10(18)4-5-13(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24)
InChIKeyWTCRITJPCTTYCP-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.08
Rot. Bonds6

About 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 42571629) has the molecular formula C17H16FN5O4 and a molecular weight of 373.34 g/mol. Its IUPAC name is 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID42571629
Molecular FormulaC17H16FN5O4
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc(OC)c1OC
InChIInChI=1S/C17H16FN5O4/c1-25-14-7-11(8-15(26-2)16(14)27-3)20-17(24)12-6-10(18)4-5-13(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24)
InChIKeyWTCRITJPCTTYCP-UHFFFAOYSA-N
XLogP2.08
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 42571629) is 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is WTCRITJPCTTYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4/c1-25-14-7-11(8-15(26-2)16(14)27-3)20-17(24)12-6-10(18)4-5-13(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24).
What are the key properties of 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 373.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 42571629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).