2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C13H15F3N2O2 — CID 81420517

IUPAC2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-20-10-4-2-3-9(17)11(10)12(19)18(8-5-6-8)7-13(14,15)16/h2-4,8H,5-7,17H2,1H3
InChIKeyHKGXRHQXEQTQNZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 81420517) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID81420517
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-20-10-4-2-3-9(17)11(10)12(19)18(8-5-6-8)7-13(14,15)16/h2-4,8H,5-7,17H2,1H3
InChIKeyHKGXRHQXEQTQNZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63659336
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
3-(2,2,2-trifluoroethoxy)propyl 2-amino-6-methoxybenzoate
CID 81395083
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 81420517) is 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cccc(N)c1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HKGXRHQXEQTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-10-4-2-3-9(17)11(10)12(19)18(8-5-6-8)7-13(14,15)16/h2-4,8H,5-7,17H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 81420517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).