[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

C23H18Cl2N2O5 — CID 108928034

IUPAC[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O5/c1-14(28)32-17-6-4-5-15(11-17)23(30)27-20-8-3-2-7-19(20)26-22(29)13-31-21-10-9-16(24)12-18(21)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyAEGCMJMVOVQOMN-UHFFFAOYSA-N
MW473.31 g/mol
LogP5.19
Rot. Bonds7

About [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108928034) has the molecular formula C23H18Cl2N2O5 and a molecular weight of 473.31 g/mol. Its IUPAC name is [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108928034
Molecular FormulaC23H18Cl2N2O5
Molecular Weight473.31 g/mol
Exact Mass472.06
IUPAC Name[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O5/c1-14(28)32-17-6-4-5-15(11-17)23(30)27-20-8-3-2-7-19(20)26-22(29)13-31-21-10-9-16(24)12-18(21)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyAEGCMJMVOVQOMN-UHFFFAOYSA-N
XLogP5.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.31
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-[3-(3-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108928122
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
[3-[[2-[(2-phenoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928735
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927978
N-[2-[acetyl(methyl)amino]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113093774
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108928034) is [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is AEGCMJMVOVQOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5/c1-14(28)32-17-6-4-5-15(11-17)23(30)27-20-8-3-2-7-19(20)26-22(29)13-31-21-10-9-16(24)12-18(21)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 473.31 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108928034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).