methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate

C19H21ClN2O4 — CID 109000946

IUPACmethyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(OC)c2)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-5-3-4-13(10-15)8-9-21-12-18(23)22-17-11-14(19(24)26-2)6-7-16(17)20/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyUVYWMMLCRIENNP-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.91
Rot. Bonds8

About methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate

methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate (PubChem CID 109000946) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
PubChem CID109000946
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(OC)c2)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-5-3-4-13(10-15)8-9-21-12-18(23)22-17-11-14(19(24)26-2)6-7-16(17)20/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyUVYWMMLCRIENNP-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 109006759
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
4-chloro-3-[3-(3-methoxyphenyl)propanoylamino]benzoic acid
CID 141007935
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
methyl 4-chloro-3-[3-[2-(4-methoxyphenyl)ethylamino]propanoylamino]benzoate
CID 109025961
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
methyl 4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoate
CID 108995150
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000966

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate (CID 109000946) is methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(OC)c2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate?
The InChIKey is UVYWMMLCRIENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-15-5-3-4-13(10-15)8-9-21-12-18(23)22-17-11-14(19(24)26-2)6-7-16(17)20/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate has a molecular weight of 376.84 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 109000946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).