3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C11H11ClF3NO — CID 60893102

IUPAC3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9-4-2-3-8(5-9)6-12/h2-5H,6-7H2,1H3
InChIKeyXQKXGGOLSRYAML-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.06
Rot. Bonds3

About 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60893102) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60893102
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9-4-2-3-8(5-9)6-12/h2-5H,6-7H2,1H3
InChIKeyXQKXGGOLSRYAML-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60893102) is 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XQKXGGOLSRYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9-4-2-3-8(5-9)6-12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 265.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60893102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).