3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide

C11H14F2N2O2 — CID 113462736

IUPAC3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C11H14F2N2O2/c12-11(13,7-16)6-15-5-8-2-1-3-9(4-8)10(14)17/h1-4,15-16H,5-7H2,(H2,14,17)
InChIKeyBPJNVXHXXQFHHN-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.50
Rot. Bonds6

About 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide

3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide (PubChem CID 113462736) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
PubChem CID113462736
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C11H14F2N2O2/c12-11(13,7-16)6-15-5-8-2-1-3-9(4-8)10(14)17/h1-4,15-16H,5-7H2,(H2,14,17)
InChIKeyBPJNVXHXXQFHHN-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide (CID 113462736) is 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide is NC(=O)c1cccc(CNCC(F)(F)CO)c1.
What is the InChIKey of 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide?
The InChIKey is BPJNVXHXXQFHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13,7-16)6-15-5-8-2-1-3-9(4-8)10(14)17/h1-4,15-16H,5-7H2,(H2,14,17).
What are the key properties of 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide?
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide has a molecular weight of 244.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide is sourced from PubChem (CID 113462736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).