N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide

C21H17Cl2NO2 — CID 994926

IUPACN-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H17Cl2NO2/c22-18-9-10-19(23)20(12-18)26-14-16-7-4-8-17(11-16)21(25)24-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
InChIKeyJSTIMVWJYVEBCW-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.50
Rot. Bonds6

About N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide

N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide (PubChem CID 994926) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide
PubChem CID994926
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC NameN-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H17Cl2NO2/c22-18-9-10-19(23)20(12-18)26-14-16-7-4-8-17(11-16)21(25)24-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
InChIKeyJSTIMVWJYVEBCW-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2-Chlorophenoxy)methyl]-2-({[1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 23017083
3-[4-[(2-Chlorophenoxy)methyl]-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoicacid
CID 46887057
N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
CID 2195027
N-(2-chloro-6-phenoxybenzyl)benzamide
CID 2811913
4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide
CID 3635548
4-(benzyloxy)-2-chloro-N-(2-chloroethyl)benzenecarboxamide
CID 3826640
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide
CID 1004812
N-benzyl-3-[(4-chlorophenoxy)methyl]benzamide
CID 1004926
4-[(2,5-dichlorophenoxy)methyl]-N-(2-furylmethyl)benzamide
CID 1012417
3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide
CID 1760585
4-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 1824799

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide?
The IUPAC name of N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide (CID 994926) is N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide?
The canonical SMILES for N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide is O=C(NCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide?
The InChIKey is JSTIMVWJYVEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-18-9-10-19(23)20(12-18)26-14-16-7-4-8-17(11-16)21(25)24-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide?
N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 994926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).