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

C17H16Cl2N2O3 — CID 166229660

IUPAC2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
SMILESNC(=O)CNc1ccc(C(=O)OCCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-3-1-2-11(16(14)19)8-9-24-17(23)12-4-6-13(7-5-12)21-10-15(20)22/h1-7,21H,8-10H2,(H2,20,22)
InChIKeyZYZQWOVXSPAWBI-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.29
Rot. Bonds7

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

2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate (PubChem CID 166229660) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
PubChem CID166229660
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
SMILESNC(=O)CNc1ccc(C(=O)OCCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-3-1-2-11(16(14)19)8-9-24-17(23)12-4-6-13(7-5-12)21-10-15(20)22/h1-7,21H,8-10H2,(H2,20,22)
InChIKeyZYZQWOVXSPAWBI-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]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

(2-Chloro-4-fluorophenyl)methyl 4-acetamidobenzoate
CID 2552655
methyl 4-[(N-phenylglycyl)amino]benzoate
CID 2969765
2-(Dimethylamino)ethyl 2-chloro-4-(octylamino)benzoate
CID 57393929
2-(Dimethylamino)ethyl 3-chloro-4-(octylamino)benzoate
CID 57400889
3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide
CID 53251573
Ethyl 4-(3-chlorobenzamido)benzoate
CID 307389
Ethyl 4-((4-chlorobenzoyl)amino)benzoate
CID 180788
3,4-Dichlorobenzyl 4-(acetylamino)benzoate
CID 891442
4-Acetamidobenzoic acid (2-chlorophenyl)methyl ester
CID 894589
4-Chlorobenzyl 4-(acetylamino)benzoate
CID 902754
2-Chlorobenzyl 4-(propionylamino)benzoate
CID 902800
2-chloro-6-fluorobenzyl N-[4-(acetylamino)benzoyl]glycinate
CID 1293777

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate?
The IUPAC name of 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate (CID 166229660) is 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate.
What is the SMILES notation for 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate?
The canonical SMILES for 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate is NC(=O)CNc1ccc(C(=O)OCCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate?
The InChIKey is ZYZQWOVXSPAWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-14-3-1-2-11(16(14)19)8-9-24-17(23)12-4-6-13(7-5-12)21-10-15(20)22/h1-7,21H,8-10H2,(H2,20,22).
What are the key properties of 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate?
2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate has a molecular weight of 367.23 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)ethyl 4-[(2-amino-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 166229660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).