N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide

C21H17Cl2NO3 — CID 4954259

IUPACN-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-19(18(23)14-15)24-21(25)17-8-4-5-9-20(17)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZWBTWBOTAWJPFO-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.70
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide

N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide (PubChem CID 4954259) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
PubChem CID4954259
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-19(18(23)14-15)24-21(25)17-8-4-5-9-20(17)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZWBTWBOTAWJPFO-UHFFFAOYSA-N
XLogP5.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 54784469
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4856842
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide (CID 4954259) is N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is ZWBTWBOTAWJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-15-10-11-19(18(23)14-15)24-21(25)17-8-4-5-9-20(17)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide?
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 402.28 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).