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

C20H23FN2O2 — CID 97197422

IUPAC(2S)-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-/m0/s1
InChIKeyUVERJRLTSWROQR-IBGZPJMESA-N
MW342.41 g/mol
LogP3.33
Rot. Bonds6

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

(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 97197422) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID97197422
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-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-/m0/s1
InChIKeyUVERJRLTSWROQR-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide (CID 97197422) is (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for (2S)-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 (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is UVERJRLTSWROQR-IBGZPJMESA-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-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide?
(2S)-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 (2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 97197422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).