N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide

C17H15F2N5O2 — CID 18565719

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2N5O2/c1-2-26-13-6-3-11(4-7-13)17(25)20-10-16-21-22-23-24(16)12-5-8-14(18)15(19)9-12/h3-9H,2,10H2,1H3,(H,20,25)
InChIKeySWWHQBQLSLCRJC-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.27
Rot. Bonds6

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide (PubChem CID 18565719) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide
PubChem CID18565719
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2N5O2/c1-2-26-13-6-3-11(4-7-13)17(25)20-10-16-21-22-23-24(16)12-5-8-14(18)15(19)9-12/h3-9H,2,10H2,1H3,(H,20,25)
InChIKeySWWHQBQLSLCRJC-UHFFFAOYSA-N
XLogP2.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide (CID 18565719) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide?
The InChIKey is SWWHQBQLSLCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-2-26-13-6-3-11(4-7-13)17(25)20-10-16-21-22-23-24(16)12-5-8-14(18)15(19)9-12/h3-9H,2,10H2,1H3,(H,20,25).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide has a molecular weight of 359.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-ethoxybenzamide is sourced from PubChem (CID 18565719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).