3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide

C24H28FN5O — CID 122640815

IUPAC3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN5O/c1-23(2,3)22-27-28-29-30(22)20-13-16(15-6-10-19(25)11-7-15)12-17(14-20)21(31)26-24(4,5)18-8-9-18/h6-7,10-14,18H,8-9H2,1-5H3,(H,26,31)
InChIKeyJNQAMTLLSPOBMN-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.68
Rot. Bonds5

About 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide

3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide (PubChem CID 122640815) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
PubChem CID122640815
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN5O/c1-23(2,3)22-27-28-29-30(22)20-13-16(15-6-10-19(25)11-7-15)12-17(14-20)21(31)26-24(4,5)18-8-9-18/h6-7,10-14,18H,8-9H2,1-5H3,(H,26,31)
InChIKeyJNQAMTLLSPOBMN-UHFFFAOYSA-N
XLogP4.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-tert-butyltetrazol-1-yl)-5-(4-cyclopropylphenyl)-N-(2-cyclopropylpropan-2-yl)benzamide;3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(3,4-difluorophenyl)benzamide
CID 159433850
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyanopropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640848
1-[3-(5-tert-butyltetrazol-1-yl)-5-(3,4-difluorophenyl)phenyl]-3-cyclopropyl-3-methylbutan-1-one
CID 148949070
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide
CID 130298796
1-[3-(5-tert-butyltetrazol-1-yl)-5-(4-chlorophenyl)phenyl]-3,3-dimethylbutan-1-one
CID 147723143
3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 76643046
3-(5-tert-butyltetrazol-1-yl)-5-(4-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 122640797
3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
CID 122651109
3-(5-cyclopropyltetrazol-1-yl)-5-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 122640805
3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
CID 126754046
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide (CID 122640815) is 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide is CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide?
The InChIKey is JNQAMTLLSPOBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-23(2,3)22-27-28-29-30(22)20-13-16(15-6-10-19(25)11-7-15)12-17(14-20)21(31)26-24(4,5)18-8-9-18/h6-7,10-14,18H,8-9H2,1-5H3,(H,26,31).
What are the key properties of 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide?
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122640815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).