2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C18H19Cl2NO2 — CID 55748427

IUPAC2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-12(2)23-11-14-8-6-13(7-9-14)10-21-18(22)15-4-3-5-16(19)17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyKYVGADCPBUPWJD-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.85
Rot. Bonds6

About 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55748427) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55748427
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-12(2)23-11-14-8-6-13(7-9-14)10-21-18(22)15-4-3-5-16(19)17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyKYVGADCPBUPWJD-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
CID 23019865
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748589
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]furan-3-carboxamide
CID 47043832
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798173

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55748427) is 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CC(C)OCc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is KYVGADCPBUPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12(2)23-11-14-8-6-13(7-9-14)10-21-18(22)15-4-3-5-16(19)17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.85, 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-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55748427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).