N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide

C18H19FN2O3 — CID 111432590

IUPACN-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Cc1cccc(F)c1)NCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-15-8-4-5-13(11-15)12-16(22)20-9-10-21-18(24)17(23)14-6-2-1-3-7-14/h1-8,11,17,23H,9-10,12H2,(H,20,22)(H,21,24)
InChIKeyQDTIUXNXRDLLSG-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.33
Rot. Bonds7

About N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111432590) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
PubChem CID111432590
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Cc1cccc(F)c1)NCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-15-8-4-5-13(11-15)12-16(22)20-9-10-21-18(24)17(23)14-6-2-1-3-7-14/h1-8,11,17,23H,9-10,12H2,(H,20,22)(H,21,24)
InChIKeyQDTIUXNXRDLLSG-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771
(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 52513427
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537513
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide
CID 140999621
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide (CID 111432590) is N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide is O=C(Cc1cccc(F)c1)NCCNC(=O)C(O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is QDTIUXNXRDLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-8-4-5-13(11-15)12-16(22)20-9-10-21-18(24)17(23)14-6-2-1-3-7-14/h1-8,11,17,23H,9-10,12H2,(H,20,22)(H,21,24).
What are the key properties of N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide?
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 330.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111432590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).