N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide

C15H13F3N2O — CID 24709372

IUPACN-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-2-7-12(19)8-13(9)20-14(21)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyBLAVOQGTRZNDIM-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.85
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide

N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 24709372) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID24709372
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-2-7-12(19)8-13(9)20-14(21)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyBLAVOQGTRZNDIM-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-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide (CID 24709372) is N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide is Cc1ccc(N)cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is BLAVOQGTRZNDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-2-7-12(19)8-13(9)20-14(21)10-3-5-11(6-4-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide?
N-(5-amino-2-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-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24709372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).