N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

C18H19N5O — CID 95227310

IUPACN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C18H19N5O/c1-11-8-9-12(2)16(10-11)13(3)19-18(24)15-7-5-4-6-14(15)17-20-22-23-21-17/h4-10,13H,1-3H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1
InChIKeyIGVBLNRKDYJDSS-CYBMUJFWSA-N
MW321.38 g/mol
LogP2.97
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 95227310) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
PubChem CID95227310
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C18H19N5O/c1-11-8-9-12(2)16(10-11)13(3)19-18(24)15-7-5-4-6-14(15)17-20-22-23-21-17/h4-10,13H,1-3H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1
InChIKeyIGVBLNRKDYJDSS-CYBMUJFWSA-N
XLogP2.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 72908148
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17495468
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (CID 95227310) is N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2-c2nn[nH]n2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IGVBLNRKDYJDSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-8-9-12(2)16(10-11)13(3)19-18(24)15-7-5-4-6-14(15)17-20-22-23-21-17/h4-10,13H,1-3H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 95227310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).