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

C20H21ClN2O4 — CID 113162670

IUPACethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C20H21ClN2O4/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)
InChIKeyJPTLWTWOQYLRAA-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.50
Rot. Bonds7

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

ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate (PubChem CID 113162670) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
PubChem CID113162670
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Nameethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C20H21ClN2O4/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)
InChIKeyJPTLWTWOQYLRAA-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162313
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
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CID 113162608
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
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ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 113158287
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
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CID 113118359
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CID 4190428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate (CID 113162670) is ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate?
The InChIKey is JPTLWTWOQYLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/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-chlorophenyl)methyl]amino]acetyl]amino]benzoate?
ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate has a molecular weight of 388.85 g/mol, XLogP of 3.50, 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-chlorophenyl)methyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113162670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).