N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide

C18H19N5O — CID 28935025

IUPACN-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H19N5O/c1-14(7-8-15-5-3-2-4-6-15)20-18(24)16-9-11-17(12-10-16)23-13-19-21-22-23/h2-6,9-14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyBZJAUPIUNHMGCC-CQSZACIVSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide

N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 28935025) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID28935025
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H19N5O/c1-14(7-8-15-5-3-2-4-6-15)20-18(24)16-9-11-17(12-10-16)23-13-19-21-22-23/h2-6,9-14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyBZJAUPIUNHMGCC-CQSZACIVSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 46390810
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
CID 55937325
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide (CID 28935025) is N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide is C[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is BZJAUPIUNHMGCC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14(7-8-15-5-3-2-4-6-15)20-18(24)16-9-11-17(12-10-16)23-13-19-21-22-23/h2-6,9-14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28935025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).