2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate

C18H17Cl2NO4 — CID 7880664

IUPAC2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12-2-5-14(6-3-12)24-8-9-25-17(22)11-21-18(23)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyVVHRSSDLRXNRFY-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate

2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 7880664) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID7880664
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12-2-5-14(6-3-12)24-8-9-25-17(22)11-21-18(23)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyVVHRSSDLRXNRFY-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880791
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373179
2-(4-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883797

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 7880664) is 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate is Cc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is VVHRSSDLRXNRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-12-2-5-14(6-3-12)24-8-9-25-17(22)11-21-18(23)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 382.24 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7880664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).