N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide

C15H13F3N2O2 — CID 16775181

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H13F3N2O2/c1-22-13-5-3-2-4-10(13)14(21)20-12-7-6-9(8-11(12)19)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyOSRZRHFTRNTGLJ-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.55
Rot. Bonds3

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide (PubChem CID 16775181) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
PubChem CID16775181
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H13F3N2O2/c1-22-13-5-3-2-4-10(13)14(21)20-12-7-6-9(8-11(12)19)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyOSRZRHFTRNTGLJ-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

2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide (CID 16775181) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The InChIKey is OSRZRHFTRNTGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-13-5-3-2-4-10(13)14(21)20-12-7-6-9(8-11(12)19)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-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-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 16775181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).