N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride

C10H11ClF4N2O2 — CID 119419546

IUPACN-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)F)cc1N.Cl
InChIInChI=1S/C10H10F4N2O2.ClH/c1-18-7-3-2-5(4-6(7)15)16-9(17)10(13,14)8(11)12;/h2-4,8H,15H2,1H3,(H,16,17);1H
InChIKeyOCYWBTVOQNAYCV-UHFFFAOYSA-N
MW302.66 g/mol
LogP2.54
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride (PubChem CID 119419546) has the molecular formula C10H11ClF4N2O2 and a molecular weight of 302.66 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
PubChem CID119419546
Molecular FormulaC10H11ClF4N2O2
Molecular Weight302.66 g/mol
Exact Mass302.04
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)F)cc1N.Cl
InChIInChI=1S/C10H10F4N2O2.ClH/c1-18-7-3-2-5(4-6(7)15)16-9(17)10(13,14)8(11)12;/h2-4,8H,15H2,1H3,(H,16,17);1H
InChIKeyOCYWBTVOQNAYCV-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.66
LogP ≤ 52.54
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

N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119419084
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
CID 103732227
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731975
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride (CID 119419546) is N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride is COc1ccc(NC(=O)C(F)(F)C(F)F)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride?
The InChIKey is OCYWBTVOQNAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2.ClH/c1-18-7-3-2-5(4-6(7)15)16-9(17)10(13,14)8(11)12;/h2-4,8H,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride has a molecular weight of 302.66 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride is sourced from PubChem (CID 119419546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).