2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide

C16H13Cl2F2NO2 — CID 139346295

IUPAC2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cc(F)c(CNC(=O)c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H13Cl2F2NO2/c1-23-8-10-6-13(19)9(5-14(10)20)7-21-16(22)15-11(17)3-2-4-12(15)18/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyTUGQBDIAJCDXOA-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.35
Rot. Bonds5

About 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide

2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 139346295) has the molecular formula C16H13Cl2F2NO2 and a molecular weight of 360.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID139346295
Molecular FormulaC16H13Cl2F2NO2
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC Name2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cc(F)c(CNC(=O)c2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C16H13Cl2F2NO2/c1-23-8-10-6-13(19)9(5-14(10)20)7-21-16(22)15-11(17)3-2-4-12(15)18/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyTUGQBDIAJCDXOA-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichlorobenzyl N-(2-fluorobenzoyl)carbamate
CID 2798261
(2-Chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 954137
N-[2-(benzyloxy)ethyl]-2-chlorobenzamide
CID 2222859
2-[(2-Chloro-6-fluorobenzoyl)amino]ethyl 2-chloro-6-fluorobenzoate
CID 2726053
Benzyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 1679624
Methyl 4-[(3-{[(2-chlorobenzoyl)amino]methyl}piperidin-1-yl)carbonyl]benzoate
CID 16188344
2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide
CID 46868516
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
2-(Benzylcarbamoyl)prop-2-enyl 2,6-dichlorobenzoate
CID 56961829
(2-chloro-4,5-difluorophenyl)-N-[2-(phenylmethoxy)ethyl]carboxamide
CID 4642908
2,5-difluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 45900647
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide (CID 139346295) is 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide is COCc1cc(F)c(CNC(=O)c2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is TUGQBDIAJCDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO2/c1-23-8-10-6-13(19)9(5-14(10)20)7-21-16(22)15-11(17)3-2-4-12(15)18/h2-6H,7-8H2,1H3,(H,21,22).
What are the key properties of 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide?
2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 360.19 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[2,5-difluoro-4-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 139346295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).