(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide

C18H20FN3O2 — CID 94812771

IUPAC(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCCNC(=O)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FN3O2/c19-15-8-4-5-13(11-15)12-16(23)21-9-10-22-17(18(20)24)14-6-2-1-3-7-14/h1-8,11,17,22H,9-10,12H2,(H2,20,24)(H,21,23)/t17-/m0/s1
InChIKeyAIBRQOVVGMMLFZ-KRWDZBQOSA-N
MW329.38 g/mol
LogP1.30
Rot. Bonds8

About (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide

(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide (PubChem CID 94812771) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
PubChem CID94812771
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCCNC(=O)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FN3O2/c19-15-8-4-5-13(11-15)12-16(23)21-9-10-22-17(18(20)24)14-6-2-1-3-7-14/h1-8,11,17,22H,9-10,12H2,(H2,20,24)(H,21,23)/t17-/m0/s1
InChIKeyAIBRQOVVGMMLFZ-KRWDZBQOSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.30
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)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 52513427
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-2-phenylacetamide;methanesulfonic acid
CID 87877252
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide (CID 94812771) is (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide is NC(=O)[C@@H](NCCNC(=O)Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The InChIKey is AIBRQOVVGMMLFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-8-4-5-13(11-15)12-16(23)21-9-10-22-17(18(20)24)14-6-2-1-3-7-14/h1-8,11,17,22H,9-10,12H2,(H2,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide has a molecular weight of 329.38 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide is sourced from PubChem (CID 94812771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).