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

C22H19N5O — CID 41131633

IUPACN-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H19N5O/c28-22(19-11-13-20(14-12-19)27-16-23-25-26-27)24-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21H,15H2,(H,24,28)/t21-/m1/s1
InChIKeyNIOVOSYRDXHCOQ-OAQYLSRUSA-N
MW369.43 g/mol
LogP3.38
Rot. Bonds6

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

N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 41131633) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID41131633
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H19N5O/c28-22(19-11-13-20(14-12-19)27-16-23-25-26-27)24-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21H,15H2,(H,24,28)/t21-/m1/s1
InChIKeyNIOVOSYRDXHCOQ-OAQYLSRUSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
CID 55937325
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
N-[(1S)-1,2-diphenylethyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 41139158
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
1,2-diphenylethylurea
CID 2853470
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide (CID 41131633) is N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide is O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NIOVOSYRDXHCOQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(19-11-13-20(14-12-19)27-16-23-25-26-27)24-21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21H,15H2,(H,24,28)/t21-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide?
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 369.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 41131633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).