N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C17H21FN4O — CID 51092079

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C17H21FN4O/c18-15-6-4-14(5-7-15)17(8-2-1-3-9-17)11-20-16(23)10-22-13-19-12-21-22/h4-7,12-13H,1-3,8-11H2,(H,20,23)
InChIKeyOCOIHEZCZSFNSA-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.44
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51092079) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51092079
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C17H21FN4O/c18-15-6-4-14(5-7-15)17(8-2-1-3-9-17)11-20-16(23)10-22-13-19-12-21-22/h4-7,12-13H,1-3,8-11H2,(H,20,23)
InChIKeyOCOIHEZCZSFNSA-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
CID 23274489
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 71848467
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60571916
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55745995
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 154839039
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60515205
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 51092079) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is OCOIHEZCZSFNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15-6-4-14(5-7-15)17(8-2-1-3-9-17)11-20-16(23)10-22-13-19-12-21-22/h4-7,12-13H,1-3,8-11H2,(H,20,23).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51092079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).