N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide

C15H13F3N2O — CID 43152274

IUPACN-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-3-2-4-12(19)13(9)20-14(21)10-5-7-11(8-6-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyTUAZDBASEFMNSC-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.85
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide

N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 43152274) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID43152274
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-3-2-4-12(19)13(9)20-14(21)10-5-7-11(8-6-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyTUAZDBASEFMNSC-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 70130011
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide (CID 43152274) is N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide is Cc1cccc(N)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is TUAZDBASEFMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-3-2-4-12(19)13(9)20-14(21)10-5-7-11(8-6-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide?
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 43152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).