N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide

C14H16FN5O — CID 166311857

IUPACN-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C14H16FN5O/c1-4-20(8-9(2)3)14(21)11-7-10(5-6-12(11)15)13-16-18-19-17-13/h5-7H,2,4,8H2,1,3H3,(H,16,17,18,19)
InChIKeyIJTBRDNEKCIKFZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide

N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide (PubChem CID 166311857) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
PubChem CID166311857
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C14H16FN5O/c1-4-20(8-9(2)3)14(21)11-7-10(5-6-12(11)15)13-16-18-19-17-13/h5-7H,2,4,8H2,1,3H3,(H,16,17,18,19)
InChIKeyIJTBRDNEKCIKFZ-UHFFFAOYSA-N
XLogP2.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide (CID 166311857) is N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide is C=C(C)CN(CC)C(=O)c1cc(-c2nn[nH]n2)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IJTBRDNEKCIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-4-20(8-9(2)3)14(21)11-7-10(5-6-12(11)15)13-16-18-19-17-13/h5-7H,2,4,8H2,1,3H3,(H,16,17,18,19).
What are the key properties of N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide?
N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 166311857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).