N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide

C11H10ClF4NO — CID 63391762

IUPACN-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(CCCl)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF4NO/c1-17(5-4-12)10(18)7-2-3-9(13)8(6-7)11(14,15)16/h2-3,6H,4-5H2,1H3
InChIKeyCQPUVBDWVMDPPK-UHFFFAOYSA-N
MW283.65 g/mol
LogP3.16
Rot. Bonds3

About N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide

N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 63391762) has the molecular formula C11H10ClF4NO and a molecular weight of 283.65 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID63391762
Molecular FormulaC11H10ClF4NO
Molecular Weight283.65 g/mol
Exact Mass283.04
IUPAC NameN-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(CCCl)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF4NO/c1-17(5-4-12)10(18)7-2-3-9(13)8(6-7)11(14,15)16/h2-3,6H,4-5H2,1H3
InChIKeyCQPUVBDWVMDPPK-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 53.16
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

N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide (CID 63391762) is N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide is CN(CCCl)C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is CQPUVBDWVMDPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO/c1-17(5-4-12)10(18)7-2-3-9(13)8(6-7)11(14,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 283.65 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63391762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).