N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide

C18H18FN5O2 — CID 8893984

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2/c1-3-23(11-13-8-9-17(26-2)15(19)10-13)18(25)14-6-4-5-7-16(14)24-12-20-21-22-24/h4-10,12H,3,11H2,1-2H3
InChIKeyQBJFWRNNNIPMPD-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.47
Rot. Bonds6

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 8893984) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID8893984
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2/c1-3-23(11-13-8-9-17(26-2)15(19)10-13)18(25)14-6-4-5-7-16(14)24-12-20-21-22-24/h4-10,12H,3,11H2,1-2H3
InChIKeyQBJFWRNNNIPMPD-UHFFFAOYSA-N
XLogP2.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 8893984) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is QBJFWRNNNIPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-3-23(11-13-8-9-17(26-2)15(19)10-13)18(25)14-6-4-5-7-16(14)24-12-20-21-22-24/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 8893984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).