N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide

C21H23N5O — CID 30310310

IUPACN-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
SMILESCc1ccccc1-n1nnnc1C1(NC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C21H23N5O/c1-16-10-6-7-13-18(16)26-20(23-24-25-26)21(14-8-3-9-15-21)22-19(27)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,22,27)
InChIKeyNBRVJICHJQMAIV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide

N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide (PubChem CID 30310310) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
PubChem CID30310310
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
SMILESCc1ccccc1-n1nnnc1C1(NC(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C21H23N5O/c1-16-10-6-7-13-18(16)26-20(23-24-25-26)21(14-8-3-9-15-21)22-19(27)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,22,27)
InChIKeyNBRVJICHJQMAIV-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310326
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311709
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
CID 8022850

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The IUPAC name of N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide (CID 30310310) is N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide.
What is the SMILES notation for N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The canonical SMILES for N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide is Cc1ccccc1-n1nnnc1C1(NC(=O)c2ccccc2)CCCCC1.
What is the InChIKey of N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
The InChIKey is NBRVJICHJQMAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-10-6-7-13-18(16)26-20(23-24-25-26)21(14-8-3-9-15-21)22-19(27)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,22,27).
What are the key properties of N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide?
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide is sourced from PubChem (CID 30310310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).