2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid

C13H15ClN2O5 — CID 79468883

IUPAC2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O5/c14-10-4-2-1-3-9(10)13(20)16-7-11(17)15-5-6-21-8-12(18)19/h1-4H,5-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyCWGJOKXAMGMBMY-UHFFFAOYSA-N
MW314.73 g/mol
LogP0.29
Rot. Bonds8

About 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid

2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid (PubChem CID 79468883) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
PubChem CID79468883
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O5/c14-10-4-2-1-3-9(10)13(20)16-7-11(17)15-5-6-21-8-12(18)19/h1-4H,5-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyCWGJOKXAMGMBMY-UHFFFAOYSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid (CID 79468883) is 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid?
The InChIKey is CWGJOKXAMGMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c14-10-4-2-1-3-9(10)13(20)16-7-11(17)15-5-6-21-8-12(18)19/h1-4H,5-8H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid has a molecular weight of 314.73 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79468883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).