4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane

C14H19ClF3NO — CID 161395322

IUPAC4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
SMILESCC.CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H13ClF3NO.C2H6/c1-3-17(7-12(14,15)16)11(18)9-4-5-10(13)8(2)6-9;1-2/h4-6H,3,7H2,1-2H3;1-2H3
InChIKeyVTNFAQQGLYIOFN-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane

4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane (PubChem CID 161395322) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
PubChem CID161395322
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
SMILESCC.CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H13ClF3NO.C2H6/c1-3-17(7-12(14,15)16)11(18)9-4-5-10(13)8(2)6-9;1-2/h4-6H,3,7H2,1-2H3;1-2H3
InChIKeyVTNFAQQGLYIOFN-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
3-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81460123
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane?
The IUPAC name of 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane (CID 161395322) is 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane.
What is the SMILES notation for 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane?
The canonical SMILES for 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane is CC.CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane?
The InChIKey is VTNFAQQGLYIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO.C2H6/c1-3-17(7-12(14,15)16)11(18)9-4-5-10(13)8(2)6-9;1-2/h4-6H,3,7H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane?
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane has a molecular weight of 309.76 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane is sourced from PubChem (CID 161395322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).