3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

C16H19BrF3N5O — CID 122651109

IUPAC3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(C)c1nnnn1-c1cc(Br)cc(C(=O)NC(C)(C)C(F)(F)F)c1
InChIInChI=1S/C16H19BrF3N5O/c1-14(2,3)13-22-23-24-25(13)11-7-9(6-10(17)8-11)12(26)21-15(4,5)16(18,19)20/h6-8H,1-5H3,(H,21,26)
InChIKeySCVNRJFZMPVRIP-UHFFFAOYSA-N
MW434.26 g/mol
LogP3.79
Rot. Bonds3

About 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (PubChem CID 122651109) has the molecular formula C16H19BrF3N5O and a molecular weight of 434.26 g/mol. Its IUPAC name is 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
PubChem CID122651109
Molecular FormulaC16H19BrF3N5O
Molecular Weight434.26 g/mol
Exact Mass433.07
IUPAC Name3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(C)c1nnnn1-c1cc(Br)cc(C(=O)NC(C)(C)C(F)(F)F)c1
InChIInChI=1S/C16H19BrF3N5O/c1-14(2,3)13-22-23-24-25(13)11-7-9(6-10(17)8-11)12(26)21-15(4,5)16(18,19)20/h6-8H,1-5H3,(H,21,26)
InChIKeySCVNRJFZMPVRIP-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-tert-butyl-5-(3-tert-butyl-1,2,4-triazol-4-yl)benzamide
CID 126753720
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyanopropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640848
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640815
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
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
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225
2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
CID 55034253
3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
CID 126754046
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
3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide
CID 103908693

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (CID 122651109) is 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is CC(C)(C)c1nnnn1-c1cc(Br)cc(C(=O)NC(C)(C)C(F)(F)F)c1.
What is the InChIKey of 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The InChIKey is SCVNRJFZMPVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF3N5O/c1-14(2,3)13-22-23-24-25(13)11-7-9(6-10(17)8-11)12(26)21-15(4,5)16(18,19)20/h6-8H,1-5H3,(H,21,26).
What are the key properties of 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide has a molecular weight of 434.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 122651109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).