(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide

C20H23FN2O2 — CID 97197423

IUPAC(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c1-22(2)19(15-6-4-7-16(21)12-15)20(25)23(17-9-10-17)13-14-5-3-8-18(24)11-14/h3-8,11-12,17,19,24H,9-10,13H2,1-2H3/t19-/m1/s1
InChIKeyUVERJRLTSWROQR-LJQANCHMSA-N
MW342.41 g/mol
LogP3.33
Rot. Bonds6

About (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide

(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 97197423) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID97197423
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c1-22(2)19(15-6-4-7-16(21)12-15)20(25)23(17-9-10-17)13-14-5-3-8-18(24)11-14/h3-8,11-12,17,19,24H,9-10,13H2,1-2H3/t19-/m1/s1
InChIKeyUVERJRLTSWROQR-LJQANCHMSA-N
XLogP3.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197422
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide (CID 97197423) is (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide is CN(C)[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1cccc(F)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is UVERJRLTSWROQR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(2)19(15-6-4-7-16(21)12-15)20(25)23(17-9-10-17)13-14-5-3-8-18(24)11-14/h3-8,11-12,17,19,24H,9-10,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 97197423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).