N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide

C15H13F3N2O2 — CID 69057355

IUPACN-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cc(N)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O2/c1-22-13-7-11(19)6-12(8-13)20-14(21)9-3-2-4-10(5-9)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyAUSDAJOQPKMYKX-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.55
Rot. Bonds3

About N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide

N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 69057355) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID69057355
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cc(N)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O2/c1-22-13-7-11(19)6-12(8-13)20-14(21)9-3-2-4-10(5-9)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyAUSDAJOQPKMYKX-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)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

3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 16745808
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide (CID 69057355) is N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide is COc1cc(N)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is AUSDAJOQPKMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-13-7-11(19)6-12(8-13)20-14(21)9-3-2-4-10(5-9)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide?
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 310.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69057355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).