3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

C19H25N5O — CID 100851579

IUPAC3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1-n1cnnn1
InChIInChI=1S/C19H25N5O/c1-12-9-13(5-6-15(12)24-11-20-22-23-24)17(25)21-16-10-14-7-8-19(16,4)18(14,2)3/h5-6,9,11,14,16H,7-8,10H2,1-4H3,(H,21,25)/t14-,16-,19-/m1/s1
InChIKeyUOCVUOWTWAPXGN-IDHHARJASA-N
MW339.44 g/mol
LogP2.92
Rot. Bonds3

About 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 100851579) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID100851579
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1-n1cnnn1
InChIInChI=1S/C19H25N5O/c1-12-9-13(5-6-15(12)24-11-20-22-23-24)17(25)21-16-10-14-7-8-19(16,4)18(14,2)3/h5-6,9,11,14,16H,7-8,10H2,1-4H3,(H,21,25)/t14-,16-,19-/m1/s1
InChIKeyUOCVUOWTWAPXGN-IDHHARJASA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (CID 100851579) is 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is UOCVUOWTWAPXGN-IDHHARJASA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-9-13(5-6-15(12)24-11-20-22-23-24)17(25)21-16-10-14-7-8-19(16,4)18(14,2)3/h5-6,9,11,14,16H,7-8,10H2,1-4H3,(H,21,25)/t14-,16-,19-/m1/s1.
What are the key properties of 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 100851579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).