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

C13H19FN2O — CID 114829658

IUPAC3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10(16-8-7-13(17)15-2)9-11-5-3-4-6-12(11)14/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyUFDNHLGXTHZYBI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.48
Rot. Bonds6

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

3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide (PubChem CID 114829658) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
PubChem CID114829658
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10(16-8-7-13(17)15-2)9-11-5-3-4-6-12(11)14/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyUFDNHLGXTHZYBI-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
N-methyl-2-[1-(2-methylphenyl)propan-2-ylamino]acetamide
CID 115706820
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide?
The IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide (CID 114829658) is 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide is CNC(=O)CCNC(C)Cc1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide?
The InChIKey is UFDNHLGXTHZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(16-8-7-13(17)15-2)9-11-5-3-4-6-12(11)14/h3-6,10,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide?
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide is sourced from PubChem (CID 114829658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).