N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

C13H15FN4O2 — CID 62401145

IUPACN-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESO=C(CCn1cc(CCO)nn1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c14-10-2-1-3-11(8-10)15-13(20)4-6-18-9-12(5-7-19)16-17-18/h1-3,8-9,19H,4-7H2,(H,15,20)
InChIKeyHGCSKIQEOPOYLO-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.98
Rot. Bonds6

About N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (PubChem CID 62401145) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
PubChem CID62401145
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC NameN-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESO=C(CCn1cc(CCO)nn1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c14-10-2-1-3-11(8-10)15-13(20)4-6-18-9-12(5-7-19)16-17-18/h1-3,8-9,19H,4-7H2,(H,15,20)
InChIKeyHGCSKIQEOPOYLO-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62399634
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 47063443
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
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3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-[3-[(R)-methylsulfinyl]-1,2,4-triazol-4-yl]propanamide
CID 97001209
N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide
CID 146082874
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400417

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (CID 62401145) is N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is O=C(CCn1cc(CCO)nn1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The InChIKey is HGCSKIQEOPOYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-10-2-1-3-11(8-10)15-13(20)4-6-18-9-12(5-7-19)16-17-18/h1-3,8-9,19H,4-7H2,(H,15,20).
What are the key properties of N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide has a molecular weight of 278.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 62401145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).