2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C16H20ClN5O — CID 7634930

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O/c1-11-6-2-5-9-14(11)18-15(23)10-22-20-16(19-21-22)12-7-3-4-8-13(12)17/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,18,23)/t11-,14+/m0/s1
InChIKeyZZFYRBMEJFFZNT-SMDDNHRTSA-N
MW333.82 g/mol
LogP2.69
Rot. Bonds4

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7634930) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID7634930
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O/c1-11-6-2-5-9-14(11)18-15(23)10-22-20-16(19-21-22)12-7-3-4-8-13(12)17/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,18,23)/t11-,14+/m0/s1
InChIKeyZZFYRBMEJFFZNT-SMDDNHRTSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11920988
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
CID 3213133
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 7634930) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is ZZFYRBMEJFFZNT-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11-6-2-5-9-14(11)18-15(23)10-22-20-16(19-21-22)12-7-3-4-8-13(12)17/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,18,23)/t11-,14+/m0/s1.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7634930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).