N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

C12H16F2N2O2 — CID 106175936

IUPACN-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NCc1ccccc1
InChIInChI=1S/C12H16F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-6-10-4-2-1-3-5-10/h1-5,15,17H,6-9H2,(H,16,18)
InChIKeyLEQWAFZLCQFYPA-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.52
Rot. Bonds7

About N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (PubChem CID 106175936) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
PubChem CID106175936
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NCc1ccccc1
InChIInChI=1S/C12H16F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-6-10-4-2-1-3-5-10/h1-5,15,17H,6-9H2,(H,16,18)
InChIKeyLEQWAFZLCQFYPA-UHFFFAOYSA-N
XLogP0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235616
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721632
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (CID 106175936) is N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is O=C(CNCC(F)(F)CO)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The InChIKey is LEQWAFZLCQFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-6-10-4-2-1-3-5-10/h1-5,15,17H,6-9H2,(H,16,18).
What are the key properties of N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide has a molecular weight of 258.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 106175936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).