2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C16H20FN5O — CID 9355690

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN5O/c1-11-4-2-3-5-14(11)18-15(23)10-22-20-16(19-21-22)12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,23)/t11-,14+/m0/s1
InChIKeyLPYMNUNMSFXJEB-SMDDNHRTSA-N
MW317.37 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 9355690) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID9355690
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN5O/c1-11-4-2-3-5-14(11)18-15(23)10-22-20-16(19-21-22)12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,23)/t11-,14+/m0/s1
InChIKeyLPYMNUNMSFXJEB-SMDDNHRTSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
CID 3213133
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120575453
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
CID 91796929
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272981
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
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)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9355681

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 9355690) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is LPYMNUNMSFXJEB-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-11-4-2-3-5-14(11)18-15(23)10-22-20-16(19-21-22)12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,23)/t11-,14+/m0/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9355690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).