3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C18H17ClF3NO3 — CID 55549890

IUPAC3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc(Cl)c1OC
InChIInChI=1S/C18H17ClF3NO3/c1-23(10-11-6-4-5-7-13(11)18(20,21)22)17(24)12-8-14(19)16(26-3)15(9-12)25-2/h4-9H,10H2,1-3H3
InChIKeyZKXUYJOKRLOFTR-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.65
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55549890) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55549890
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc(Cl)c1OC
InChIInChI=1S/C18H17ClF3NO3/c1-23(10-11-6-4-5-7-13(11)18(20,21)22)17(24)12-8-14(19)16(26-3)15(9-12)25-2/h4-9H,10H2,1-3H3
InChIKeyZKXUYJOKRLOFTR-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 55549890) is 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is COc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ZKXUYJOKRLOFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c1-23(10-11-6-4-5-7-13(11)18(20,21)22)17(24)12-8-14(19)16(26-3)15(9-12)25-2/h4-9H,10H2,1-3H3.
What are the key properties of 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 387.79 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55549890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).