5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide

C11H12F4N2O2 — CID 106289101

IUPAC5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c1-19-8-3-2-6(16)4-7(8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18)
InChIKeyNOVQQYUKKCDJHA-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.91
Rot. Bonds5

About 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide

5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106289101) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106289101
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c1-19-8-3-2-6(16)4-7(8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18)
InChIKeyNOVQQYUKKCDJHA-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293675
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106289101) is 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide is COc1ccc(N)cc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is NOVQQYUKKCDJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c1-19-8-3-2-6(16)4-7(8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide?
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 280.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106289101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).