2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide

C12H15F3N2O2 — CID 115514769

IUPAC2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESCOc1ccc(N)c(C(=O)NCCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-8-3-4-10(16)9(7-8)11(18)17-6-2-5-12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyBCCFJSDHNCFUSL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide

2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 115514769) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID115514769
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESCOc1ccc(N)c(C(=O)NCCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-8-3-4-10(16)9(7-8)11(18)17-6-2-5-12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyBCCFJSDHNCFUSL-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104685620
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide (CID 115514769) is 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide is COc1ccc(N)c(C(=O)NCCCC(F)(F)F)c1.
What is the InChIKey of 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is BCCFJSDHNCFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-8-3-4-10(16)9(7-8)11(18)17-6-2-5-12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide?
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 115514769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).