[4-(2,4-dichlorophenoxy)anilino] acetate

C14H11Cl2NO3 — CID 154699813

IUPAC[4-(2,4-dichlorophenoxy)anilino] acetate
SMILESCC(=O)ONc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3/c1-9(18)20-17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8,17H,1H3
InChIKeyNFMBWIPSPREWBZ-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.68
Rot. Bonds4

About [4-(2,4-dichlorophenoxy)anilino] acetate

[4-(2,4-dichlorophenoxy)anilino] acetate (PubChem CID 154699813) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)anilino] acetate.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)anilino] acetate
PubChem CID154699813
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name[4-(2,4-dichlorophenoxy)anilino] acetate
SMILESCC(=O)ONc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3/c1-9(18)20-17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8,17H,1H3
InChIKeyNFMBWIPSPREWBZ-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
(Z)-4-[4-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 25251032
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
CID 20648456
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
CID 57098621
1-[4-(2,4-dichlorophenoxy)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 2806224
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)anilino] acetate?
The IUPAC name of [4-(2,4-dichlorophenoxy)anilino] acetate (CID 154699813) is [4-(2,4-dichlorophenoxy)anilino] acetate.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)anilino] acetate?
The canonical SMILES for [4-(2,4-dichlorophenoxy)anilino] acetate is CC(=O)ONc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-(2,4-dichlorophenoxy)anilino] acetate?
The InChIKey is NFMBWIPSPREWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-9(18)20-17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8,17H,1H3.
What are the key properties of [4-(2,4-dichlorophenoxy)anilino] acetate?
[4-(2,4-dichlorophenoxy)anilino] acetate has a molecular weight of 312.15 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)anilino] acetate is sourced from PubChem (CID 154699813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).