4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide

C18H24FN5O2 — CID 163318125

IUPAC4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
SMILESCOC1CCC(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H24FN5O2/c1-26-16-10-8-15(9-11-16)20-17(25)3-2-12-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyHWPOVMVZVDLBCN-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.33
Rot. Bonds7

About 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide

4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide (PubChem CID 163318125) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
PubChem CID163318125
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
SMILESCOC1CCC(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H24FN5O2/c1-26-16-10-8-15(9-11-16)20-17(25)3-2-12-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyHWPOVMVZVDLBCN-UHFFFAOYSA-N
XLogP2.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 163306992
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 156587114
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
CID 135095450
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491136
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 86904326
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-4-[5-(4-fluorophenyl)tetrazol-2-yl]butan-1-one
CID 133125539
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide?
The IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide (CID 163318125) is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide is COC1CCC(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide?
The InChIKey is HWPOVMVZVDLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-26-16-10-8-15(9-11-16)20-17(25)3-2-12-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,25).
What are the key properties of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide?
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide has a molecular weight of 361.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide is sourced from PubChem (CID 163318125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).