ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate

C20H21FN2O4 — CID 113162313

IUPACethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C20H21FN2O4/c1-3-27-20(26)16-9-5-7-11-18(16)22-19(25)13-23(14(2)24)12-15-8-4-6-10-17(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyVIDSHTFWERYQGI-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.99
Rot. Bonds7

About ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate

ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate (PubChem CID 113162313) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
PubChem CID113162313
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Nameethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C20H21FN2O4/c1-3-27-20(26)16-9-5-7-11-18(16)22-19(25)13-23(14(2)24)12-15-8-4-6-10-17(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyVIDSHTFWERYQGI-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162670
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
ethyl 3-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetyl]amino]-2-methylbenzoate
CID 100631116
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 113158287
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 113162306
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 51090560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate (CID 113162313) is ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate?
The InChIKey is VIDSHTFWERYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-3-27-20(26)16-9-5-7-11-18(16)22-19(25)13-23(14(2)24)12-15-8-4-6-10-17(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate?
ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate has a molecular weight of 372.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113162313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).