N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H15ClF3N3O — CID 78914827

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c1-19(2)10-4-3-8(13)5-9(10)18-11(20)6-17-7-12(14,15)16/h3-5,17H,6-7H2,1-2H3,(H,18,20)
InChIKeyMJHMGPBQRJOABM-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.50
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914827) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914827
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c1-19(2)10-4-3-8(13)5-9(10)18-11(20)6-17-7-12(14,15)16/h3-5,17H,6-7H2,1-2H3,(H,18,20)
InChIKeyMJHMGPBQRJOABM-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
CID 65173264
N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119858088
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
CID 131944002
4-fluoro-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79260480
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914827) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is CN(C)c1ccc(Cl)cc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MJHMGPBQRJOABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19(2)10-4-3-8(13)5-9(10)18-11(20)6-17-7-12(14,15)16/h3-5,17H,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 309.72 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).