N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide

C21H18FN5O — CID 8023933

IUPACN-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1cccc2ccccc12
InChIInChI=1S/C21H18FN5O/c1-2-26(19-12-6-8-15-7-3-4-11-18(15)19)20(28)14-27-24-21(23-25-27)16-9-5-10-17(22)13-16/h3-13H,2,14H2,1H3
InChIKeyMYMPBLIFHAJANP-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide

N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide (PubChem CID 8023933) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide
PubChem CID8023933
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1cccc2ccccc12
InChIInChI=1S/C21H18FN5O/c1-2-26(19-12-6-8-15-7-3-4-11-18(15)19)20(28)14-27-24-21(23-25-27)16-9-5-10-17(22)13-16/h3-13H,2,14H2,1H3
InChIKeyMYMPBLIFHAJANP-UHFFFAOYSA-N
XLogP3.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8509816
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 167242614
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide (CID 8023933) is N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide is CCN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is MYMPBLIFHAJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-26(19-12-6-8-15-7-3-4-11-18(15)19)20(28)14-27-24-21(23-25-27)16-9-5-10-17(22)13-16/h3-13H,2,14H2,1H3.
What are the key properties of N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 375.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 8023933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).