2-amino-N-benzyl-3-(difluoromethoxy)propanamide

C11H14F2N2O2 — CID 23649017

IUPAC2-amino-N-benzyl-3-(difluoromethoxy)propanamide
SMILESNC(COC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-7-9(14)10(16)15-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,14H2,(H,15,16)
InChIKeySISCZANBALNQDT-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.87
Rot. Bonds6

About 2-amino-N-benzyl-3-(difluoromethoxy)propanamide

2-amino-N-benzyl-3-(difluoromethoxy)propanamide (PubChem CID 23649017) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-N-benzyl-3-(difluoromethoxy)propanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-3-(difluoromethoxy)propanamide
PubChem CID23649017
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-benzyl-3-(difluoromethoxy)propanamide
SMILESNC(COC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-7-9(14)10(16)15-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,14H2,(H,15,16)
InChIKeySISCZANBALNQDT-UHFFFAOYSA-N
XLogP0.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-benzyl-3-(difluoromethoxy)propanamide 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

(2R)-2-amino-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
CID 174568268
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 23648565
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
benzyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(difluoromethoxy)propanoyl]amino]-3-(difluoromethoxy)propanoyl]amino]-4-methylpentanoate
CID 118288421

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-3-(difluoromethoxy)propanamide?
The IUPAC name of 2-amino-N-benzyl-3-(difluoromethoxy)propanamide (CID 23649017) is 2-amino-N-benzyl-3-(difluoromethoxy)propanamide.
What is the SMILES notation for 2-amino-N-benzyl-3-(difluoromethoxy)propanamide?
The canonical SMILES for 2-amino-N-benzyl-3-(difluoromethoxy)propanamide is NC(COC(F)F)C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-3-(difluoromethoxy)propanamide?
The InChIKey is SISCZANBALNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)17-7-9(14)10(16)15-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,14H2,(H,15,16).
What are the key properties of 2-amino-N-benzyl-3-(difluoromethoxy)propanamide?
2-amino-N-benzyl-3-(difluoromethoxy)propanamide has a molecular weight of 244.24 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-3-(difluoromethoxy)propanamide is sourced from PubChem (CID 23649017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).