5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide

C16H12ClF2N5O2 — CID 18565736

IUPAC5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N5O2/c1-26-14-5-2-9(17)6-11(14)16(25)20-8-15-21-22-23-24(15)10-3-4-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,25)
InChIKeyIXIMJRXZLGGFHO-UHFFFAOYSA-N
MW379.75 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (PubChem CID 18565736) has the molecular formula C16H12ClF2N5O2 and a molecular weight of 379.75 g/mol. Its IUPAC name is 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
PubChem CID18565736
Molecular FormulaC16H12ClF2N5O2
Molecular Weight379.75 g/mol
Exact Mass379.06
IUPAC Name5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N5O2/c1-26-14-5-2-9(17)6-11(14)16(25)20-8-15-21-22-23-24(15)10-3-4-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,25)
InChIKeyIXIMJRXZLGGFHO-UHFFFAOYSA-N
XLogP2.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (CID 18565736) is 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The InChIKey is IXIMJRXZLGGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O2/c1-26-14-5-2-9(17)6-11(14)16(25)20-8-15-21-22-23-24(15)10-3-4-12(18)13(19)7-10/h2-7H,8H2,1H3,(H,20,25).
What are the key properties of 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide has a molecular weight of 379.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 18565736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).