benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate

C20H20F2N2O4 — CID 22492201

IUPACbenzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H20F2N2O4/c1-13(24-18(25)9-15-7-16(21)10-17(22)8-15)20(27)23-11-19(26)28-12-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyLGBHYPAVSZBIGU-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.87
Rot. Bonds8

About benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate

benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate (PubChem CID 22492201) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
PubChem CID22492201
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Namebenzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H20F2N2O4/c1-13(24-18(25)9-15-7-16(21)10-17(22)8-15)20(27)23-11-19(26)28-12-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyLGBHYPAVSZBIGU-UHFFFAOYSA-N
XLogP1.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961
benzyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoate
CID 10162841
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
tert-butyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-2-phenylacetate
CID 2956
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-4-phenylbutanoic acid
CID 174418138
2-methylpropyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 142643268
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate?
The IUPAC name of benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate (CID 22492201) is benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate.
What is the SMILES notation for benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate?
The canonical SMILES for benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate is CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate?
The InChIKey is LGBHYPAVSZBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-13(24-18(25)9-15-7-16(21)10-17(22)8-15)20(27)23-11-19(26)28-12-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate?
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate has a molecular weight of 390.39 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate is sourced from PubChem (CID 22492201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).