ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate

C14H18ClNO5 — CID 106501591

IUPACethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO5/c1-3-21-13(18)9-16(6-7-20-2)14(19)11-8-10(17)4-5-12(11)15/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyFASOICZQKHJIKA-UHFFFAOYSA-N
MW315.75 g/mol
LogP1.70
Rot. Bonds7

About ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 106501591) has the molecular formula C14H18ClNO5 and a molecular weight of 315.75 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
PubChem CID106501591
Molecular FormulaC14H18ClNO5
Molecular Weight315.75 g/mol
Exact Mass315.09
IUPAC Nameethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO5/c1-3-21-13(18)9-16(6-7-20-2)14(19)11-8-10(17)4-5-12(11)15/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyFASOICZQKHJIKA-UHFFFAOYSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate 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

ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-5-hydroxy-N-(2-methoxyethyl)benzamide
CID 106502796
ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60958970
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709
ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
CID 55726615
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate (CID 106501591) is ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is FASOICZQKHJIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5/c1-3-21-13(18)9-16(6-7-20-2)14(19)11-8-10(17)4-5-12(11)15/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 315.75 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 106501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).