N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

C23H21N5O2 — CID 76642992

IUPACN-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(CO)c3ccccc3)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)28-15-24-26-27-28)23(30)25-22(14-29)18-5-3-2-4-6-18/h2-13,15,22,29H,14H2,1H3,(H,25,30)
InChIKeyDGGXHSWFOPZMLD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.10
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 76642992) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID76642992
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(CO)c3ccccc3)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)28-15-24-26-27-28)23(30)25-22(14-29)18-5-3-2-4-6-18/h2-13,15,22,29H,14H2,1H3,(H,25,30)
InChIKeyDGGXHSWFOPZMLD-UHFFFAOYSA-N
XLogP3.10
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
propan-2-yl 3-(4-methylphenyl)-3-[[3-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 167859779
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 76642992) is N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(CO)c3ccccc3)cc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is DGGXHSWFOPZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)28-15-24-26-27-28)23(30)25-22(14-29)18-5-3-2-4-6-18/h2-13,15,22,29H,14H2,1H3,(H,25,30).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 76642992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).