4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride

C12H16ClF3N2O — CID 119437962

IUPAC4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
SMILESCNCc1ccccc1NC(=O)CCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O.ClH/c1-16-8-9-4-2-3-5-10(9)17-11(18)6-7-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H
InChIKeyABANMSUMIOFOQN-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.11
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride

4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride (PubChem CID 119437962) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
PubChem CID119437962
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
SMILESCNCc1ccccc1NC(=O)CCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O.ClH/c1-16-8-9-4-2-3-5-10(9)17-11(18)6-7-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H
InChIKeyABANMSUMIOFOQN-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride 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-(methylaminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805508
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
2-[2-[2-(methylaminomethyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569724
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride (CID 119437962) is 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride is CNCc1ccccc1NC(=O)CCC(F)(F)F.Cl.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride?
The InChIKey is ABANMSUMIOFOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O.ClH/c1-16-8-9-4-2-3-5-10(9)17-11(18)6-7-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H.
What are the key properties of 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride?
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119437962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).