4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide

C18H18ClN5O — CID 46916168

IUPAC4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18ClN5O/c1-18(2,3)12-6-4-11(5-7-12)17(25)20-15-10-13(19)8-9-14(15)16-21-23-24-22-16/h4-10H,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyCCAYEYRKEDRZLK-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.07
Rot. Bonds3

About 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide

4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 46916168) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID46916168
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18ClN5O/c1-18(2,3)12-6-4-11(5-7-12)17(25)20-15-10-13(19)8-9-14(15)16-21-23-24-22-16/h4-10H,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyCCAYEYRKEDRZLK-UHFFFAOYSA-N
XLogP4.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 46916168) is 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is CCAYEYRKEDRZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-18(2,3)12-6-4-11(5-7-12)17(25)20-15-10-13(19)8-9-14(15)16-21-23-24-22-16/h4-10H,1-3H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide?
4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 46916168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).