(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide

C15H13F4N3O — CID 99640932

IUPAC(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide
SMILESNC(=O)[C@H](NCc1ncccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H13F4N3O/c16-10-5-3-9(4-6-10)13(14(20)23)22-8-12-11(15(17,18)19)2-1-7-21-12/h1-7,13,22H,8H2,(H2,20,23)/t13-/m1/s1
InChIKeyVFECHAWKGNAORJ-CYBMUJFWSA-N
MW327.28 g/mol
LogP2.56
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide

(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide (PubChem CID 99640932) has the molecular formula C15H13F4N3O and a molecular weight of 327.28 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide
PubChem CID99640932
Molecular FormulaC15H13F4N3O
Molecular Weight327.28 g/mol
Exact Mass327.10
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide
SMILESNC(=O)[C@H](NCc1ncccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H13F4N3O/c16-10-5-3-9(4-6-10)13(14(20)23)22-8-12-11(15(17,18)19)2-1-7-21-12/h1-7,13,22H,8H2,(H2,20,23)/t13-/m1/s1
InChIKeyVFECHAWKGNAORJ-CYBMUJFWSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 60503246
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
CID 128993715
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 66706887
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
CID 135392885
(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide
CID 95297826
(3S)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 157277176
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide (CID 99640932) is (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide is NC(=O)[C@H](NCc1ncccc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide?
The InChIKey is VFECHAWKGNAORJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13F4N3O/c16-10-5-3-9(4-6-10)13(14(20)23)22-8-12-11(15(17,18)19)2-1-7-21-12/h1-7,13,22H,8H2,(H2,20,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide?
(2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide has a molecular weight of 327.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]acetamide is sourced from PubChem (CID 99640932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).