N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

C13H15ClF3NO3 — CID 107492086

IUPACN-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCCl)CC(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO3/c1-20-9-3-4-11(21-2)10(7-9)12(19)18(6-5-14)8-13(15,16)17/h3-4,7H,5-6,8H2,1-2H3
InChIKeyWUFNZEWLXJTTKC-UHFFFAOYSA-N
MW325.71 g/mol
LogP2.95
Rot. Bonds6

About N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492086) has the molecular formula C13H15ClF3NO3 and a molecular weight of 325.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492086
Molecular FormulaC13H15ClF3NO3
Molecular Weight325.71 g/mol
Exact Mass325.07
IUPAC NameN-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCCl)CC(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO3/c1-20-9-3-4-11(21-2)10(7-9)12(19)18(6-5-14)8-13(15,16)17/h3-4,7H,5-6,8H2,1-2H3
InChIKeyWUFNZEWLXJTTKC-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.71
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531101
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 107492222
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289
N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107492086) is N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(OC)c(C(=O)N(CCCl)CC(F)(F)F)c1.
What is the InChIKey of N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WUFNZEWLXJTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO3/c1-20-9-3-4-11(21-2)10(7-9)12(19)18(6-5-14)8-13(15,16)17/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 325.71 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).