2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

C17H16FN5O3 — CID 55811964

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C17H16FN5O3/c1-25-15-6-3-11(7-16(15)26-2)8-17(24)20-14-9-12(4-5-13(14)18)23-10-19-21-22-23/h3-7,9-10H,8H2,1-2H3,(H,20,24)
InChIKeyHELIJOBVDIPHDW-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.00
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55811964) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55811964
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C17H16FN5O3/c1-25-15-6-3-11(7-16(15)26-2)8-17(24)20-14-9-12(4-5-13(14)18)23-10-19-21-22-23/h3-7,9-10H,8H2,1-2H3,(H,20,24)
InChIKeyHELIJOBVDIPHDW-UHFFFAOYSA-N
XLogP2.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 55811842
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55813949
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55992374
N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (CID 55811964) is 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is HELIJOBVDIPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-25-15-6-3-11(7-16(15)26-2)8-17(24)20-14-9-12(4-5-13(14)18)23-10-19-21-22-23/h3-7,9-10H,8H2,1-2H3,(H,20,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 357.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55811964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).