N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide

C15H20FN5O — CID 51954474

IUPACN-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)(C)C[C@@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN5O/c1-15(2,3)8-13(11-4-6-12(16)7-5-11)18-14(22)9-21-10-17-19-20-21/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDNBXLECAFRSGJC-CYBMUJFWSA-N
MW305.36 g/mol
LogP2.11
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide

N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 51954474) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
PubChem CID51954474
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)(C)C[C@@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN5O/c1-15(2,3)8-13(11-4-6-12(16)7-5-11)18-14(22)9-21-10-17-19-20-21/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDNBXLECAFRSGJC-CYBMUJFWSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 71685310
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
CID 56521765
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55751308
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 107473948
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920123

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide (CID 51954474) is N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide is CC(C)(C)C[C@@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is DNBXLECAFRSGJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-15(2,3)8-13(11-4-6-12(16)7-5-11)18-14(22)9-21-10-17-19-20-21/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide?
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 51954474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).