3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide

C21H17Cl2NO3 — CID 17133532

IUPAC3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2NO3/c22-16-12-15(13-17(23)14-16)21(25)24-18-6-8-20(9-7-18)27-11-10-26-19-4-2-1-3-5-19/h1-9,12-14H,10-11H2,(H,24,25)
InChIKeyZEAHEUDKYMZZEN-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.70
Rot. Bonds7

About 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide

3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17133532) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17133532
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Name3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2NO3/c22-16-12-15(13-17(23)14-16)21(25)24-18-6-8-20(9-7-18)27-11-10-26-19-4-2-1-3-5-19/h1-9,12-14H,10-11H2,(H,24,25)
InChIKeyZEAHEUDKYMZZEN-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

3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide (CID 17133532) is 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is ZEAHEUDKYMZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-16-12-15(13-17(23)14-16)21(25)24-18-6-8-20(9-7-18)27-11-10-26-19-4-2-1-3-5-19/h1-9,12-14H,10-11H2,(H,24,25).
What are the key properties of 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]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 3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17133532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).