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

C51H60F2N10O2 — CID 159433850

IUPAC3-(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
SMILESCC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(C3CC3)cc2)c1.CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C27H33N5O.C24H27F2N5O/c1-26(2,3)25-29-30-31-32(25)23-15-20(19-10-8-18(9-11-19)17-6-7-17)14-21(16-23)24(33)28-27(4,5)22-12-13-22;1-23(2,3)22-28-29-30-31(22)18-11-15(14-6-9-19(25)20(26)13-14)10-16(12-18)21(32)27-24(4,5)17-7-8-17/h8-11,14-17,22H,6-7,12-13H2,1-5H3,(H,28,33);6,9-13,17H,7-8H2,1-5H3,(H,27,32)
InChIKeyLRHZEXZWLLXMMR-UHFFFAOYSA-N
MW883.11 g/mol
LogP10.25
Rot. Bonds11

About 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

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 (PubChem CID 159433850) has the molecular formula C51H60F2N10O2 and a molecular weight of 883.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159433850
Molecular FormulaC51H60F2N10O2
Molecular Weight883.11 g/mol
Exact Mass882.49
IUPAC Name3-(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
SMILESCC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(C3CC3)cc2)c1.CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C27H33N5O.C24H27F2N5O/c1-26(2,3)25-29-30-31-32(25)23-15-20(19-10-8-18(9-11-19)17-6-7-17)14-21(16-23)24(33)28-27(4,5)22-12-13-22;1-23(2,3)22-28-29-30-31(22)18-11-15(14-6-9-19(25)20(26)13-14)10-16(12-18)21(32)27-24(4,5)17-7-8-17/h8-11,14-17,22H,6-7,12-13H2,1-5H3,(H,28,33);6,9-13,17H,7-8H2,1-5H3,(H,27,32)
InChIKeyLRHZEXZWLLXMMR-UHFFFAOYSA-N
XLogP10.25
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 510.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(C3CC3)cc2)c1.CC(C)(C)c1nnnn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 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?
The InChIKey is LRHZEXZWLLXMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O.C24H27F2N5O/c1-26(2,3)25-29-30-31-32(25)23-15-20(19-10-8-18(9-11-19)17-6-7-17)14-21(16-23)24(33)28-27(4,5)22-12-13-22;1-23(2,3)22-28-29-30-31(22)18-11-15(14-6-9-19(25)20(26)13-14)10-16(12-18)21(32)27-24(4,5)17-7-8-17/h8-11,14-17,22H,6-7,12-13H2,1-5H3,(H,28,33);6,9-13,17H,7-8H2,1-5H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 883.11 g/mol, XLogP of 10.25, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159433850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).