N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide

C17H16ClF2NO3 — CID 55416097

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H16ClF2NO3/c1-21(10-11-9-12(18)7-8-14(11)23-2)16(22)13-5-3-4-6-15(13)24-17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyCTAZCJLGXGCPLA-UHFFFAOYSA-N
MW355.77 g/mol
LogP4.22
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide (PubChem CID 55416097) has the molecular formula C17H16ClF2NO3 and a molecular weight of 355.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
PubChem CID55416097
Molecular FormulaC17H16ClF2NO3
Molecular Weight355.77 g/mol
Exact Mass355.08
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H16ClF2NO3/c1-21(10-11-9-12(18)7-8-14(11)23-2)16(22)13-5-3-4-6-15(13)24-17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyCTAZCJLGXGCPLA-UHFFFAOYSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
CID 115736583
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95726095
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-(5-chloro-2-methoxyphenyl)-2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 33184219
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
CID 55871435

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide (CID 55416097) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is CTAZCJLGXGCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3/c1-21(10-11-9-12(18)7-8-14(11)23-2)16(22)13-5-3-4-6-15(13)24-17(19)20/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 355.77 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 55416097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).