N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide

C17H17Cl2NO3 — CID 17139550

IUPACN-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-8-9-23-14-5-3-4-12(10-14)17(21)20-13-6-7-15(18)16(19)11-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21)
InChIKeyKLEDOAVMRKLXBL-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.66
Rot. Bonds7

About N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide

N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide (PubChem CID 17139550) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
PubChem CID17139550
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-8-9-23-14-5-3-4-12(10-14)17(21)20-13-6-7-15(18)16(19)11-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21)
InChIKeyKLEDOAVMRKLXBL-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)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

N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
CID 17139559
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide (CID 17139550) is N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide is CCOCCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide?
The InChIKey is KLEDOAVMRKLXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-2-22-8-9-23-14-5-3-4-12(10-14)17(21)20-13-6-7-15(18)16(19)11-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide?
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide has a molecular weight of 354.23 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).