N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide

C19H22ClNO2 — CID 27861720

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)14-8-10-15(11-9-14)23-13-12-21-18(22)16-6-4-5-7-17(16)20/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyFKDOMQOGADKXLJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.45
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide (PubChem CID 27861720) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
PubChem CID27861720
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)14-8-10-15(11-9-14)23-13-12-21-18(22)16-6-4-5-7-17(16)20/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyFKDOMQOGADKXLJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzamide
CID 168583738
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2-chloro-N-[2-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111409987
2-chloro-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005736
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168607756
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide (CID 27861720) is N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide is CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide?
The InChIKey is FKDOMQOGADKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(2,3)14-8-10-15(11-9-14)23-13-12-21-18(22)16-6-4-5-7-17(16)20/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide has a molecular weight of 331.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 27861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).