(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C15H20FN5O — CID 94068188

IUPAC(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cncn1
InChIInChI=1S/C15H20FN5O/c1-11(21-10-17-9-19-21)15(22)18-8-14(20(2)3)12-5-4-6-13(16)7-12/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)/t11-,14-/m0/s1
InChIKeyYTSDJFULIVZGLA-FZMZJTMJSA-N
MW305.36 g/mol
LogP1.40
Rot. Bonds6

About (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94068188) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94068188
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cncn1
InChIInChI=1S/C15H20FN5O/c1-11(21-10-17-9-19-21)15(22)18-8-14(20(2)3)12-5-4-6-13(16)7-12/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)/t11-,14-/m0/s1
InChIKeyYTSDJFULIVZGLA-FZMZJTMJSA-N
XLogP1.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
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CID 39958008
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
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N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94068188) is (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cncn1.
What is the InChIKey of (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YTSDJFULIVZGLA-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-11(21-10-17-9-19-21)15(22)18-8-14(20(2)3)12-5-4-6-13(16)7-12/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 305.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94068188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).