2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide

C22H19Cl2NO2 — CID 23019842

IUPAC2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
SMILESCc1ccc(OCc2ccccc2)c(CNC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C22H19Cl2NO2/c1-15-10-11-20(27-14-16-6-3-2-4-7-16)17(12-15)13-25-22(26)18-8-5-9-19(23)21(18)24/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyNALMWYSEPASNTQ-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.81
Rot. Bonds6

About 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide

2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 23019842) has the molecular formula C22H19Cl2NO2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
PubChem CID23019842
Molecular FormulaC22H19Cl2NO2
Molecular Weight400.31 g/mol
Exact Mass399.08
IUPAC Name2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
SMILESCc1ccc(OCc2ccccc2)c(CNC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C22H19Cl2NO2/c1-15-10-11-20(27-14-16-6-3-2-4-7-16)17(12-15)13-25-22(26)18-8-5-9-19(23)21(18)24/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyNALMWYSEPASNTQ-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
CID 23019865
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019932
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55806149
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide (CID 23019842) is 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide is Cc1ccc(OCc2ccccc2)c(CNC(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is NALMWYSEPASNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO2/c1-15-10-11-20(27-14-16-6-3-2-4-7-16)17(12-15)13-25-22(26)18-8-5-9-19(23)21(18)24/h2-12H,13-14H2,1H3,(H,25,26).
What are the key properties of 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide?
2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 400.31 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 23019842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).