[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate

C21H14Cl3NO4 — CID 19179674

IUPAC[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3NO4/c22-14-3-6-16(7-4-14)25-21(27)13-1-8-17(9-2-13)29-20(26)12-28-19-10-5-15(23)11-18(19)24/h1-11H,12H2,(H,25,27)
InChIKeyOUJNQRFAELFNTD-UHFFFAOYSA-N
MW450.71 g/mol
LogP5.88
Rot. Bonds6

About [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate

[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 19179674) has the molecular formula C21H14Cl3NO4 and a molecular weight of 450.71 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID19179674
Molecular FormulaC21H14Cl3NO4
Molecular Weight450.71 g/mol
Exact Mass449.00
IUPAC Name[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3NO4/c22-14-3-6-16(7-4-14)25-21(27)13-1-8-17(9-2-13)29-20(26)12-28-19-10-5-15(23)11-18(19)24/h1-11H,12H2,(H,25,27)
InChIKeyOUJNQRFAELFNTD-UHFFFAOYSA-N
XLogP5.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180152
propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17160841
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 175220650
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
CID 19184459
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate (CID 19179674) is [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OUJNQRFAELFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3NO4/c22-14-3-6-16(7-4-14)25-21(27)13-1-8-17(9-2-13)29-20(26)12-28-19-10-5-15(23)11-18(19)24/h1-11H,12H2,(H,25,27).
What are the key properties of [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 450.71 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 19179674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).