4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide

C19H21N5O — CID 29116117

IUPAC4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2nnn(C)n2)cc1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-3-7-17(14-8-5-4-6-9-14)20-19(25)16-12-10-15(11-13-16)18-21-23-24(2)22-18/h4-6,8-13,17H,3,7H2,1-2H3,(H,20,25)/t17-/m1/s1
InChIKeyADHQUJYEDWNBCL-QGZVFWFLSA-N
MW335.41 g/mol
LogP3.15
Rot. Bonds6

About 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide

4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide (PubChem CID 29116117) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide
PubChem CID29116117
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2nnn(C)n2)cc1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-3-7-17(14-8-5-4-6-9-14)20-19(25)16-12-10-15(11-13-16)18-21-23-24(2)22-18/h4-6,8-13,17H,3,7H2,1-2H3,(H,20,25)/t17-/m1/s1
InChIKeyADHQUJYEDWNBCL-QGZVFWFLSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
1-phenylbutylurea
CID 2852079
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide?
The IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide (CID 29116117) is 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide is CCC[C@@H](NC(=O)c1ccc(-c2nnn(C)n2)cc1)c1ccccc1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide?
The InChIKey is ADHQUJYEDWNBCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-7-17(14-8-5-4-6-9-14)20-19(25)16-12-10-15(11-13-16)18-21-23-24(2)22-18/h4-6,8-13,17H,3,7H2,1-2H3,(H,20,25)/t17-/m1/s1.
What are the key properties of 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide?
4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)-N-[(1R)-1-phenylbutyl]benzamide is sourced from PubChem (CID 29116117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).