2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide

C18H18Cl3NO2 — CID 4943480

IUPAC2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3NO2/c1-11(2)7-8-24-17-6-4-3-5-12(17)18(23)22-16-10-14(20)13(19)9-15(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyQIVDWGZSCIPPMX-UHFFFAOYSA-N
MW386.71 g/mol
LogP6.32
Rot. Bonds6

About 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide

2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 4943480) has the molecular formula C18H18Cl3NO2 and a molecular weight of 386.71 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID4943480
Molecular FormulaC18H18Cl3NO2
Molecular Weight386.71 g/mol
Exact Mass385.04
IUPAC Name2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3NO2/c1-11(2)7-8-24-17-6-4-3-5-12(17)18(23)22-16-10-14(20)13(19)9-15(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyQIVDWGZSCIPPMX-UHFFFAOYSA-N
XLogP6.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272
N-[(4-chlorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944368

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide (CID 4943480) is 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide is CC(C)CCOc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is QIVDWGZSCIPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO2/c1-11(2)7-8-24-17-6-4-3-5-12(17)18(23)22-16-10-14(20)13(19)9-15(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide?
2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 386.71 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 4943480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).