N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide

C11H14F2N2O2 — CID 64540190

IUPACN-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
SMILESCC(O)C(N)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(16)10(14)5-15-11(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,16H,5,14H2,1H3,(H,15,17)
InChIKeyNCRNOFBKWGLYDE-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.40
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide

N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide (PubChem CID 64540190) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
PubChem CID64540190
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
SMILESCC(O)C(N)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(16)10(14)5-15-11(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,16H,5,14H2,1H3,(H,15,17)
InChIKeyNCRNOFBKWGLYDE-UHFFFAOYSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopentyl)-2,4-difluorobenzamide
CID 115737778
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzamide
CID 64540596
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide (CID 64540190) is N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide is CC(O)C(N)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide?
The InChIKey is NCRNOFBKWGLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(16)10(14)5-15-11(17)8-3-2-7(12)4-9(8)13/h2-4,6,10,16H,5,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide?
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide has a molecular weight of 244.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide is sourced from PubChem (CID 64540190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).