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

C18H19N5O — CID 42893682

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2-n2cnnn2)c1
InChIInChI=1S/C18H19N5O/c1-12-8-9-13(2)16(10-12)14(3)20-18(24)15-6-4-5-7-17(15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24)
InChIKeyCHSMTFYCZSAOJS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.77
Rot. Bonds4

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

N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 42893682) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID42893682
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2-n2cnnn2)c1
InChIInChI=1S/C18H19N5O/c1-12-8-9-13(2)16(10-12)14(3)20-18(24)15-6-4-5-7-17(15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24)
InChIKeyCHSMTFYCZSAOJS-UHFFFAOYSA-N
XLogP2.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
CID 55333176
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616466
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17495468
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 9119802
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 42893682) is N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccccc2-n2cnnn2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is CHSMTFYCZSAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-8-9-13(2)16(10-12)14(3)20-18(24)15-6-4-5-7-17(15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42893682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).