[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate

C16H13Cl2NO4 — CID 146175960

IUPAC[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)NOC(=O)COc1ccccc1
InChIInChI=1S/C16H13Cl2NO4/c17-12-7-6-11(14(18)9-12)8-15(20)19-23-16(21)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,19,20)
InChIKeyOTPIYJGCNSYLIL-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.19
Rot. Bonds5

About [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate

[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate (PubChem CID 146175960) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate.

Molecular Properties

Compound Name[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
PubChem CID146175960
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)NOC(=O)COc1ccccc1
InChIInChI=1S/C16H13Cl2NO4/c17-12-7-6-11(14(18)9-12)8-15(20)19-23-16(21)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,19,20)
InChIKeyOTPIYJGCNSYLIL-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.19
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

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842112
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
CID 61321528
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
CID 7961913
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959

Frequently Asked Questions

What is the IUPAC name of [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate?
The IUPAC name of [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate (CID 146175960) is [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate.
What is the SMILES notation for [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate?
The canonical SMILES for [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate is O=C(Cc1ccc(Cl)cc1Cl)NOC(=O)COc1ccccc1.
What is the InChIKey of [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate?
The InChIKey is OTPIYJGCNSYLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c17-12-7-6-11(14(18)9-12)8-15(20)19-23-16(21)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate?
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate has a molecular weight of 354.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate is sourced from PubChem (CID 146175960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).