(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide

C17H15F5N2O — CID 97187528

IUPAC(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCc1cc(F)c(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C17H15F5N2O/c1-24(2)16(9-4-3-5-11(18)6-9)17(25)23-8-10-7-12(19)14(21)15(22)13(10)20/h3-7,16H,8H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeySQIJHZFFJUWVOU-INIZCTEOSA-N
MW358.31 g/mol
LogP3.30
Rot. Bonds5

About (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide

(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide (PubChem CID 97187528) has the molecular formula C17H15F5N2O and a molecular weight of 358.31 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
PubChem CID97187528
Molecular FormulaC17H15F5N2O
Molecular Weight358.31 g/mol
Exact Mass358.11
IUPAC Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCc1cc(F)c(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C17H15F5N2O/c1-24(2)16(9-4-3-5-11(18)6-9)17(25)23-8-10-7-12(19)14(21)15(22)13(10)20/h3-7,16H,8H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeySQIJHZFFJUWVOU-INIZCTEOSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50967911
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 95119707
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide (CID 97187528) is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide is CN(C)[C@H](C(=O)NCc1cc(F)c(F)c(F)c1F)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide?
The InChIKey is SQIJHZFFJUWVOU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15F5N2O/c1-24(2)16(9-4-3-5-11(18)6-9)17(25)23-8-10-7-12(19)14(21)15(22)13(10)20/h3-7,16H,8H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide?
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide has a molecular weight of 358.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide is sourced from PubChem (CID 97187528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).