N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide

C15H10Cl3NO3 — CID 2571070

IUPACN-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C15H10Cl3NO3/c16-10-6-12(18)13(7-11(10)17)22-8-14(20)19-15(21)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20,21)
InChIKeyXKWBRMRXCJUABP-UHFFFAOYSA-N
MW358.61 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide

N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide (PubChem CID 2571070) has the molecular formula C15H10Cl3NO3 and a molecular weight of 358.61 g/mol. Its IUPAC name is N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide
PubChem CID2571070
Molecular FormulaC15H10Cl3NO3
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC NameN-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C15H10Cl3NO3/c16-10-6-12(18)13(7-11(10)17)22-8-14(20)19-15(21)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20,21)
InChIKeyXKWBRMRXCJUABP-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
N-[(E)-(3-methyl-1-phenylbutylidene)amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6048682
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685205
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
benzyl 2-(2,4,5-trichlorophenoxy)acetate
CID 71395919

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide?
The IUPAC name of N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide (CID 2571070) is N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide.
What is the SMILES notation for N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide?
The canonical SMILES for N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide?
The InChIKey is XKWBRMRXCJUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3/c16-10-6-12(18)13(7-11(10)17)22-8-14(20)19-15(21)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20,21).
What are the key properties of N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide?
N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide has a molecular weight of 358.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide is sourced from PubChem (CID 2571070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).