2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide

C12H17FN2O — CID 115706785

IUPAC2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(15-8-12(16)14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,15H,6,8H2,1-2H3,(H,14,16)
InChIKeyCWQHHAZYPJUQGB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.09
Rot. Bonds5

About 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide

2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide (PubChem CID 115706785) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
PubChem CID115706785
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(15-8-12(16)14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,15H,6,8H2,1-2H3,(H,14,16)
InChIKeyCWQHHAZYPJUQGB-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide 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

2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
CID 103788194
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide (CID 115706785) is 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide is CNC(=O)CNC(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide?
The InChIKey is CWQHHAZYPJUQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(15-8-12(16)14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,15H,6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide?
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide has a molecular weight of 224.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide is sourced from PubChem (CID 115706785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).