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

C21H17Cl2NO3 — CID 17133560

IUPAC3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCOc2ccccc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2NO3/c22-16-11-15(12-17(23)13-16)21(25)24-18-5-4-8-20(14-18)27-10-9-26-19-6-2-1-3-7-19/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyJNZVMNGQDXCJLR-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.70
Rot. Bonds7

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

3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17133560) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17133560
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Name3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCOc2ccccc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2NO3/c22-16-11-15(12-17(23)13-16)21(25)24-18-5-4-8-20(14-18)27-10-9-26-19-6-2-1-3-7-19/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyJNZVMNGQDXCJLR-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'}

Analyze 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide (CID 17133560) is 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide is O=C(Nc1cccc(OCCOc2ccccc2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is JNZVMNGQDXCJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-16-11-15(12-17(23)13-16)21(25)24-18-5-4-8-20(14-18)27-10-9-26-19-6-2-1-3-7-19/h1-8,11-14H,9-10H2,(H,24,25).
What are the key properties of 3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
3,5-dichloro-N-[3-(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-[3-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17133560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).