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

C18H18ClN5O2 — CID 22579859

IUPAC5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-11-4-6-14(8-12(11)2)24-17(21-22-23-24)10-20-18(25)15-9-13(19)5-7-16(15)26-3/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyNCHRKWYZPFBPJV-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.87
Rot. Bonds5

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

5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (PubChem CID 22579859) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
PubChem CID22579859
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-11-4-6-14(8-12(11)2)24-17(21-22-23-24)10-20-18(25)15-9-13(19)5-7-16(15)26-3/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyNCHRKWYZPFBPJV-UHFFFAOYSA-N
XLogP2.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide (CID 22579859) is 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1.
What is the InChIKey of 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
The InChIKey is NCHRKWYZPFBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-4-6-14(8-12(11)2)24-17(21-22-23-24)10-20-18(25)15-9-13(19)5-7-16(15)26-3/h4-9H,10H2,1-3H3,(H,20,25).
What are the key properties of 5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide has a molecular weight of 371.83 g/mol, XLogP of 2.87, 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-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 22579859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).