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

C16H13F2N5O2 — CID 18565717

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2N5O2/c1-25-12-4-2-3-10(7-12)16(24)19-9-15-20-21-22-23(15)11-5-6-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOJRXICJBMUGTNH-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.88
Rot. Bonds5

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

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide (PubChem CID 18565717) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide
PubChem CID18565717
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13F2N5O2/c1-25-12-4-2-3-10(7-12)16(24)19-9-15-20-21-22-23(15)11-5-6-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,24)
InChIKeyOJRXICJBMUGTNH-UHFFFAOYSA-N
XLogP1.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.88
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]-3-methoxybenzamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide (CID 18565717) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide?
The InChIKey is OJRXICJBMUGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-25-12-4-2-3-10(7-12)16(24)19-9-15-20-21-22-23(15)11-5-6-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-methoxybenzamide has a molecular weight of 345.31 g/mol, XLogP of 1.88, 5 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]-3-methoxybenzamide is sourced from PubChem (CID 18565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).