N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide

C17H16ClN5O2 — CID 18565689

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5O2/c1-12(25-15-5-3-2-4-6-15)17(24)19-11-16-20-21-22-23(16)14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,19,24)
InChIKeyVYNFUESVAHEPOE-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.40
Rot. Bonds6

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide (PubChem CID 18565689) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide
PubChem CID18565689
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5O2/c1-12(25-15-5-3-2-4-6-15)17(24)19-11-16-20-21-22-23(16)14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,19,24)
InChIKeyVYNFUESVAHEPOE-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide (CID 18565689) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide?
The InChIKey is VYNFUESVAHEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-12(25-15-5-3-2-4-6-15)17(24)19-11-16-20-21-22-23(16)14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,19,24).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide has a molecular weight of 357.80 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 18565689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).