N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide

C16H20FN5O2 — CID 95624764

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-n3cnnn3)ccc2F)C1
InChIInChI=1S/C16H20FN5O2/c1-11-3-2-4-13(7-11)24-9-16(23)19-15-8-12(5-6-14(15)17)22-10-18-20-21-22/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,19,23)/t11-,13+/m0/s1
InChIKeyGISUOWABPYAVTN-WCQYABFASA-N
MW333.37 g/mol
LogP2.34
Rot. Bonds5

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide (PubChem CID 95624764) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide
PubChem CID95624764
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-n3cnnn3)ccc2F)C1
InChIInChI=1S/C16H20FN5O2/c1-11-3-2-4-13(7-11)24-9-16(23)19-15-8-12(5-6-14(15)17)22-10-18-20-21-22/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,19,23)/t11-,13+/m0/s1
InChIKeyGISUOWABPYAVTN-WCQYABFASA-N
XLogP2.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(methylamino)acetamide
CID 54862457
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319
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
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 166276211
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide (CID 95624764) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide is C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-n3cnnn3)ccc2F)C1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide?
The InChIKey is GISUOWABPYAVTN-WCQYABFASA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11-3-2-4-13(7-11)24-9-16(23)19-15-8-12(5-6-14(15)17)22-10-18-20-21-22/h5-6,8,10-11,13H,2-4,7,9H2,1H3,(H,19,23)/t11-,13+/m0/s1.
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide has a molecular weight of 333.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 95624764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).