4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide

C17H22ClN5O2 — CID 58502110

IUPAC4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1
InChIInChI=1S/C17H22ClN5O2/c1-12(2)21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyAWAJGEQNUGRFNF-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.09
Rot. Bonds3

About 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide

4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 58502110) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
PubChem CID58502110
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1
InChIInChI=1S/C17H22ClN5O2/c1-12(2)21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyAWAJGEQNUGRFNF-UHFFFAOYSA-N
XLogP3.09
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
4-(2-chlorophenyl)-N-(cyclopenten-1-yl)-N',N'-dimethyl-5-oxotetrazole-1-carbohydrazide
CID 58502310
4-(2-chlorophenyl)-N-dodecyl-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502051
4-(2-chlorophenyl)-5-oxo-N-phenyl-N-propyltetrazole-1-carboxamide
CID 123556058
N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502492
N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide
CID 58502092
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
2-[[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198680
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 41402586
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 122067149

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide (CID 58502110) is 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide is CC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is AWAJGEQNUGRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-12(2)21(13-8-4-3-5-9-13)16(24)23-17(25)22(19-20-23)15-11-7-6-10-14(15)18/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 58502110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).