2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide

C17H17F4N3O2 — CID 120670168

IUPAC2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1
InChIInChI=1S/C17H17F4N3O2/c1-10-2-4-11(5-3-10)14(22)15(25)24-12-6-7-13(23-8-12)26-9-17(20,21)16(18)19/h2-8,14,16H,9,22H2,1H3,(H,24,25)
InChIKeyHAXTUNNSAPLXSZ-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.31
Rot. Bonds7

About 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide

2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide (PubChem CID 120670168) has the molecular formula C17H17F4N3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
PubChem CID120670168
Molecular FormulaC17H17F4N3O2
Molecular Weight371.33 g/mol
Exact Mass371.13
IUPAC Name2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1
InChIInChI=1S/C17H17F4N3O2/c1-10-2-4-11(5-3-10)14(22)15(25)24-12-6-7-13(23-8-12)26-9-17(20,21)16(18)19/h2-8,14,16H,9,22H2,1H3,(H,24,25)
InChIKeyHAXTUNNSAPLXSZ-UHFFFAOYSA-N
XLogP3.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
CID 95322424
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
2-hydroxy-2-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoylamino]propanoic acid
CID 122079511
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977260
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
CID 119957958
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide (CID 120670168) is 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide is Cc1ccc(C(N)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide?
The InChIKey is HAXTUNNSAPLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2/c1-10-2-4-11(5-3-10)14(22)15(25)24-12-6-7-13(23-8-12)26-9-17(20,21)16(18)19/h2-8,14,16H,9,22H2,1H3,(H,24,25).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide has a molecular weight of 371.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 120670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).