methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate

C18H19ClN2O3 — CID 34668652

IUPACmethyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-17(22)15-6-2-14(3-7-15)12-21-18(23)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H2,20,21,23)
InChIKeyRQQGJRNGUNKJFJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.17
Rot. Bonds6

About methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate

methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate (PubChem CID 34668652) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
PubChem CID34668652
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Namemethyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-17(22)15-6-2-14(3-7-15)12-21-18(23)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H2,20,21,23)
InChIKeyRQQGJRNGUNKJFJ-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
CID 55473296
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
methyl 4-[(3-oxobutylcarbamoylamino)methyl]benzoate
CID 108895262
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
methyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]ethyl]benzoate
CID 46530131
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
methyl 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 26417354
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
methyl 4-[3-[(4-chlorophenyl)methylamino]propanoylamino]benzoate
CID 109021898
methyl 4-[[[2-[1-(4-chlorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]methyl]benzoate
CID 8589552

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate (CID 34668652) is methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate?
The InChIKey is RQQGJRNGUNKJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-17(22)15-6-2-14(3-7-15)12-21-18(23)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H2,20,21,23).
What are the key properties of methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate?
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate has a molecular weight of 346.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate is sourced from PubChem (CID 34668652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).