ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate

C17H16Cl2N2O3 — CID 3759003

IUPACethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-24-16(22)11-4-3-5-14(8-11)21-17(23)20-10-12-6-7-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H2,20,21,23)
InChIKeyRGENOABFGXOFJM-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.49
Rot. Bonds5

About ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate

ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate (PubChem CID 3759003) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
PubChem CID3759003
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Nameethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-24-16(22)11-4-3-5-14(8-11)21-17(23)20-10-12-6-7-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H2,20,21,23)
InChIKeyRGENOABFGXOFJM-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzoate
CID 3733924
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-(2-bromoethylcarbamoylamino)benzoate
CID 11324499
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate (CID 3759003) is ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate?
The InChIKey is RGENOABFGXOFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-2-24-16(22)11-4-3-5-14(8-11)21-17(23)20-10-12-6-7-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate?
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate has a molecular weight of 367.23 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate is sourced from PubChem (CID 3759003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).