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

C19H21ClN2O3 — CID 2442863

IUPACethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyRUFNNPLIADVRJA-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.59
Rot. Bonds7

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

ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 2442863) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID2442863
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Nameethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyRUFNNPLIADVRJA-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.59
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-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9136539
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CID 9057796
ethyl 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1120560
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ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 113158287
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
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CID 27222679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate (CID 2442863) is ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is RUFNNPLIADVRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-25-19(24)15-9-5-7-11-17(15)21-18(23)13-22(2)12-14-8-4-6-10-16(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate?
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 360.84 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 2442863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).