N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide

C12H14F3N3O2 — CID 78957981

IUPACN-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c1-16-11(20)8-4-2-3-5-9(8)18-10(19)6-17-7-12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyUDCXSQCHTSOAGL-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide

N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide (PubChem CID 78957981) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
PubChem CID78957981
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c1-16-11(20)8-4-2-3-5-9(8)18-10(19)6-17-7-12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyUDCXSQCHTSOAGL-UHFFFAOYSA-N
XLogP1.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34753814

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide (CID 78957981) is N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide?
The InChIKey is UDCXSQCHTSOAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-16-11(20)8-4-2-3-5-9(8)18-10(19)6-17-7-12(13,14)15/h2-5,17H,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide?
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide has a molecular weight of 289.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 78957981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).