(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide

C19H20FN3O3 — CID 140999621

IUPAC(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide
SMILESC[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C19H20FN3O3/c1-12(22-16(24)11-13-6-5-9-15(20)10-13)18(25)23-19(26)17(21)14-7-3-2-4-8-14/h2-10,12,17H,11,21H2,1H3,(H,22,24)(H,23,25,26)/t12-,17+/m0/s1
InChIKeyDIRCMTDOBITJPA-YVEFUNNKSA-N
MW357.39 g/mol
LogP1.22
Rot. Bonds6

About (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide

(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide (PubChem CID 140999621) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide
PubChem CID140999621
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide
SMILESC[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C19H20FN3O3/c1-12(22-16(24)11-13-6-5-9-15(20)10-13)18(25)23-19(26)17(21)14-7-3-2-4-8-14/h2-10,12,17H,11,21H2,1H3,(H,22,24)(H,23,25,26)/t12-,17+/m0/s1
InChIKeyDIRCMTDOBITJPA-YVEFUNNKSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
CID 140999664
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
2-methylpropyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 142643268
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide (CID 140999621) is (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide is C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide?
The InChIKey is DIRCMTDOBITJPA-YVEFUNNKSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12(22-16(24)11-13-6-5-9-15(20)10-13)18(25)23-19(26)17(21)14-7-3-2-4-8-14/h2-10,12,17H,11,21H2,1H3,(H,22,24)(H,23,25,26)/t12-,17+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide?
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide has a molecular weight of 357.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 140999621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).