N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide

C17H22ClN5O — CID 30310869

IUPACN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1(c2nnnn2-c2cccc(Cl)c2C)CCCCC1
InChIInChI=1S/C17H22ClN5O/c1-12-14(18)8-7-9-15(12)23-16(19-20-21-23)17(22(3)13(2)24)10-5-4-6-11-17/h7-9H,4-6,10-11H2,1-3H3
InChIKeyIEANSNPPLDBJFH-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.26
Rot. Bonds3

About N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide

N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide (PubChem CID 30310869) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
PubChem CID30310869
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1(c2nnnn2-c2cccc(Cl)c2C)CCCCC1
InChIInChI=1S/C17H22ClN5O/c1-12-14(18)8-7-9-15(12)23-16(19-20-21-23)17(22(3)13(2)24)10-5-4-6-11-17/h7-9H,4-6,10-11H2,1-3H3
InChIKeyIEANSNPPLDBJFH-UHFFFAOYSA-N
XLogP3.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313026
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 3508864
ethyl 3-[5-[1-[ethoxycarbonyl(methyl)amino]cyclohexyl]tetrazol-1-yl]benzoate
CID 30311323
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311709
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
CID 30311076

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide (CID 30310869) is N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide is CC(=O)N(C)C1(c2nnnn2-c2cccc(Cl)c2C)CCCCC1.
What is the InChIKey of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide?
The InChIKey is IEANSNPPLDBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-14(18)8-7-9-15(12)23-16(19-20-21-23)17(22(3)13(2)24)10-5-4-6-11-17/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide?
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide has a molecular weight of 347.85 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 30310869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).