(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C18H17FN4O2 — CID 36518284

IUPAC(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c1-13(25-17-8-4-15(19)5-9-17)18(24)22-16-6-2-14(3-7-16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJUIOOIRGWPQHEI-ZDUSSCGKSA-N
MW340.36 g/mol
LogP2.87
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 36518284) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID36518284
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c1-13(25-17-8-4-15(19)5-9-17)18(24)22-16-6-2-14(3-7-16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJUIOOIRGWPQHEI-ZDUSSCGKSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 78858162
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 36518284) is (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is JUIOOIRGWPQHEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-13(25-17-8-4-15(19)5-9-17)18(24)22-16-6-2-14(3-7-16)10-23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 340.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 36518284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).