N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide

C15H13F3N2O — CID 79757071

IUPACN-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-3-2-4-10(19)7-9)15(21)11-5-6-12(16)14(18)13(11)17/h2-7H,8,19H2,1H3
InChIKeyLEMHHZRDYNJHHZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.96
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide

N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide (PubChem CID 79757071) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
PubChem CID79757071
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-3-2-4-10(19)7-9)15(21)11-5-6-12(16)14(18)13(11)17/h2-7H,8,19H2,1H3
InChIKeyLEMHHZRDYNJHHZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide 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-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide (CID 79757071) is N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide is CN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide?
The InChIKey is LEMHHZRDYNJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-20(8-9-3-2-4-10(19)7-9)15(21)11-5-6-12(16)14(18)13(11)17/h2-7H,8,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide?
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide has a molecular weight of 294.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide is sourced from PubChem (CID 79757071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).