N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H14F4N2O — CID 107493456

IUPACN-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(CCN)CC(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-8-2-3-10(13)9(6-8)11(19)18(5-4-17)7-12(14,15)16/h2-3,6H,4-5,7,17H2,1H3
InChIKeyIZVRGHHQZMHXOV-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.10
Rot. Bonds4

About N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107493456) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107493456
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(CCN)CC(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-8-2-3-10(13)9(6-8)11(19)18(5-4-17)7-12(14,15)16/h2-3,6H,4-5,7,17H2,1H3
InChIKeyIZVRGHHQZMHXOV-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)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

2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 107493456) is N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(F)c(C(=O)N(CCN)CC(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IZVRGHHQZMHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-8-2-3-10(13)9(6-8)11(19)18(5-4-17)7-12(14,15)16/h2-3,6H,4-5,7,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107493456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).