N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide

C10H12F2N2O3 — CID 114383835

IUPACN-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C10H12F2N2O3/c11-10(12,4-13)5-14-9(17)6-2-1-3-7(15)8(6)16/h1-3,15-16H,4-5,13H2,(H,14,17)
InChIKeyKMJODJZBAGBVCI-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.42
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide

N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide (PubChem CID 114383835) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
PubChem CID114383835
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C10H12F2N2O3/c11-10(12,4-13)5-14-9(17)6-2-1-3-7(15)8(6)16/h1-3,15-16H,4-5,13H2,(H,14,17)
InChIKeyKMJODJZBAGBVCI-UHFFFAOYSA-N
XLogP0.42
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
N-(3-amino-2,2-difluoropropyl)-3-hydroxybenzamide
CID 114383539
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide (CID 114383835) is N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide is NCC(F)(F)CNC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide?
The InChIKey is KMJODJZBAGBVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c11-10(12,4-13)5-14-9(17)6-2-1-3-7(15)8(6)16/h1-3,15-16H,4-5,13H2,(H,14,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide?
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide has a molecular weight of 246.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).