4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide

C17H16ClN5O2 — CID 123556058

IUPAC4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
SMILESCCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccccc1
InChIInChI=1S/C17H16ClN5O2/c1-2-12-21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3
InChIKeyDFPTUQLIYWYWPB-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.97
Rot. Bonds4

About 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide

4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide (PubChem CID 123556058) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
PubChem CID123556058
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
SMILESCCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccccc1
InChIInChI=1S/C17H16ClN5O2/c1-2-12-21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3
InChIKeyDFPTUQLIYWYWPB-UHFFFAOYSA-N
XLogP2.97
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide (CID 123556058) is 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide is CCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide?
The InChIKey is DFPTUQLIYWYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-2-12-21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide?
4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide is sourced from PubChem (CID 123556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).