N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide

C15H13F3N2O2 — CID 16770362

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2/c1-22-11-5-2-9(3-6-11)14(21)20-10-4-7-13(19)12(8-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyYELWKIUTAILKPX-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.55
Rot. Bonds3

About N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide

N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide (PubChem CID 16770362) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
PubChem CID16770362
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2/c1-22-11-5-2-9(3-6-11)14(21)20-10-4-7-13(19)12(8-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyYELWKIUTAILKPX-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'}

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Related Compounds

4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
1-N,4-N-bis[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 148615789

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide (CID 16770362) is N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The InChIKey is YELWKIUTAILKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-11-5-2-9(3-6-11)14(21)20-10-4-7-13(19)12(8-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide 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-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 16770362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).