N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

C14H16FN5O — CID 41436763

IUPACN-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C14H16FN5O/c1-9(10-5-6-10)16-13(21)8-20-18-14(17-19-20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,21)/t9-/m1/s1
InChIKeyZTBMSUQXQIZZPO-SECBINFHSA-N
MW289.31 g/mol
LogP1.39
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 41436763) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID41436763
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C14H16FN5O/c1-9(10-5-6-10)16-13(21)8-20-18-14(17-19-20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,21)/t9-/m1/s1
InChIKeyZTBMSUQXQIZZPO-SECBINFHSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491136
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide (CID 41436763) is N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide is C[C@@H](NC(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is ZTBMSUQXQIZZPO-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-9(10-5-6-10)16-13(21)8-20-18-14(17-19-20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,21)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 41436763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).