N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide

C22H20ClNO3 — CID 7492331

IUPACN-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCCOc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClNO3/c23-20-11-4-5-12-21(20)27-14-13-26-19-10-6-9-18(15-19)22(25)24-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,24,25)
InChIKeyOQBRGFFGKFRVCD-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds8

About N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide

N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide (PubChem CID 7492331) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
PubChem CID7492331
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCCOc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClNO3/c23-20-11-4-5-12-21(20)27-14-13-26-19-10-6-9-18(15-19)22(25)24-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,24,25)
InChIKeyOQBRGFFGKFRVCD-UHFFFAOYSA-N
XLogP4.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.73
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-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide (CID 7492331) is N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide is O=C(NCc1ccccc1)c1cccc(OCCOc2ccccc2Cl)c1.
What is the InChIKey of N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide?
The InChIKey is OQBRGFFGKFRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c23-20-11-4-5-12-21(20)27-14-13-26-19-10-6-9-18(15-19)22(25)24-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,24,25).
What are the key properties of N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide?
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide is sourced from PubChem (CID 7492331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).