3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide

C17H19FN2O2 — CID 67109526

IUPAC3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
SMILESNC(=O)C(F)(CNCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-17(16(19)21,22-12-15-9-5-2-6-10-15)13-20-11-14-7-3-1-4-8-14/h1-10,20H,11-13H2,(H2,19,21)
InChIKeyCRZYSKMKNLBANO-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.14
Rot. Bonds8

About 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide

3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide (PubChem CID 67109526) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
PubChem CID67109526
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
SMILESNC(=O)C(F)(CNCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-17(16(19)21,22-12-15-9-5-2-6-10-15)13-20-11-14-7-3-1-4-8-14/h1-10,20H,11-13H2,(H2,19,21)
InChIKeyCRZYSKMKNLBANO-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide 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

3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
CID 3658518
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
(phenylmethoxyamino)urea
CID 67928507
(2R)-3-(benzylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 91872599
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
[(2S)-3-(benzylamino)-2-sulfanylpropyl] trifluoromethanesulfonate
CID 101362518
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide?
The IUPAC name of 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide (CID 67109526) is 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide.
What is the SMILES notation for 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide?
The canonical SMILES for 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide is NC(=O)C(F)(CNCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide?
The InChIKey is CRZYSKMKNLBANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-17(16(19)21,22-12-15-9-5-2-6-10-15)13-20-11-14-7-3-1-4-8-14/h1-10,20H,11-13H2,(H2,19,21).
What are the key properties of 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide?
3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide has a molecular weight of 302.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide is sourced from PubChem (CID 67109526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).