2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide

C11H11ClF4N2O — CID 115570045

IUPAC2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cccc(Cl)c1F)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H11ClF4N2O/c1-6(10(19)17-5-11(14,15)16)18-8-4-2-3-7(12)9(8)13/h2-4,6,18H,5H2,1H3,(H,17,19)
InChIKeyNYMLIZOWUUMNOL-UHFFFAOYSA-N
MW298.67 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115570045) has the molecular formula C11H11ClF4N2O and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115570045
Molecular FormulaC11H11ClF4N2O
Molecular Weight298.67 g/mol
Exact Mass298.05
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cccc(Cl)c1F)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H11ClF4N2O/c1-6(10(19)17-5-11(14,15)16)18-8-4-2-3-7(12)9(8)13/h2-4,6,18H,5H2,1H3,(H,17,19)
InChIKeyNYMLIZOWUUMNOL-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
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N-(3-Chloro-4-fluorophenyl)acetamide
CID 589188
2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
CID 47133353
N-(3,5-Dichlorophenyl)-2-[[[(1-methylethyl)amino]carbonyl]amino]acetamide
CID 113001370
N-(3-chlorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 558417
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
N-(3-chloro-4-fluorophenyl)-2-[(2-hydroxyethyl)amino]acetamide
CID 3888635
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
N-(3-chloro-4-fluorophenyl)propanamide
CID 699697
1-(3,4-Dichlorophenyl)-3-methyl-1,4-diazepan-2-one;hydrochloride
CID 118708369

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115570045) is 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1cccc(Cl)c1F)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NYMLIZOWUUMNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF4N2O/c1-6(10(19)17-5-11(14,15)16)18-8-4-2-3-7(12)9(8)13/h2-4,6,18H,5H2,1H3,(H,17,19).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 298.67 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115570045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).