N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide

C16H20ClN5O2 — CID 4238312

IUPACN-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C16H20ClN5O2/c1-24-11-14(23)18-16(8-3-2-4-9-16)15-19-20-21-22(15)13-7-5-6-12(17)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,23)
InChIKeyYHUAHKMZSQXRRU-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.24
Rot. Bonds5

About N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide

N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide (PubChem CID 4238312) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide
PubChem CID4238312
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C16H20ClN5O2/c1-24-11-14(23)18-16(8-3-2-4-9-16)15-19-20-21-22(15)13-7-5-6-12(17)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,23)
InChIKeyYHUAHKMZSQXRRU-UHFFFAOYSA-N
XLogP2.24
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-(1-(Dimethylamino)cyclohexyl)-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 1304886
2-(5-{1-[acetyl(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3240278
2-(5-{1-[(methoxyacetyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3944840
2-{5-[1-(acetylamino)cyclopentyl]-1H-tetrazol-1-yl}ethyl 4-chlorophenylcarbamate
CID 3745640
2-{5-[1-(acetylamino)cyclohexyl]-1H-tetrazol-1-yl}ethyl (4-chlorophenyl)carbamate
CID 2946292
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 2944922
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclopentyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 2972571
2-methoxy-N-methyl-N-[1-(1-phenyl-1H-tetrazol-5-yl)cyclohexyl]acetamide
CID 3516136
1-[1-(3-chlorophenyl)-1H-tetraazol-5-yl]-N-ethylcyclohexanamine
CID 53297703
N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxy-acetamide
CID 11588801
4-{[1-(3-Chlorophenyl)-1,2,3,4-tetraazol-5-yl]cyclohexyl}morpholine
CID 5009574
N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2-methoxyacetamide
CID 18565669

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide (CID 4238312) is N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide is COCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide?
The InChIKey is YHUAHKMZSQXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-24-11-14(23)18-16(8-3-2-4-9-16)15-19-20-21-22(15)13-7-5-6-12(17)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,23).
What are the key properties of N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide?
N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide has a molecular weight of 349.82 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-2-methoxyacetamide is sourced from PubChem (CID 4238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).