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

C18H18Cl2N2O3 — CID 109006759

IUPACmethyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-25-18(24)13-5-6-15(20)16(10-13)22-17(23)11-21-8-7-12-3-2-4-14(19)9-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,22,23)
InChIKeyMOHNMUHEGPEHFO-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.55
Rot. Bonds7

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

methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate (PubChem CID 109006759) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
PubChem CID109006759
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Namemethyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-25-18(24)13-5-6-15(20)16(10-13)22-17(23)11-21-8-7-12-3-2-4-14(19)9-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,22,23)
InChIKeyMOHNMUHEGPEHFO-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylethylamino)acetyl]amino]benzoate
CID 108999940
methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
CID 109000946
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850
methyl 4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoate
CID 108995150
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424495
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
methyl 4-chloro-3-[[3-(3-chloroanilino)-3-oxopropyl]amino]benzoate
CID 109037981
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate (CID 109006759) is methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNCCc2cccc(Cl)c2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate?
The InChIKey is MOHNMUHEGPEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-25-18(24)13-5-6-15(20)16(10-13)22-17(23)11-21-8-7-12-3-2-4-14(19)9-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,22,23).
What are the key properties of methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate has a molecular weight of 381.26 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 109006759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).