2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide

C12H17FN2O — CID 119500340

IUPAC2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(12(16)15-7-6-14-2)10-4-3-5-11(13)8-10/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyANLVFNISNDWCLG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide

2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119500340) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID119500340
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(12(16)15-7-6-14-2)10-4-3-5-11(13)8-10/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyANLVFNISNDWCLG-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
CID 119235220
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119503851
N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-[2-(3-fluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 75383446
2-[2-(3-fluorophenyl)propanoylamino]-2-methylbutanoic acid
CID 119199718
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 98001029
2-(3-fluorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)propanamide
CID 75373555
(2S)-2-(3-fluorophenyl)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]propanamide
CID 97216869

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide (CID 119500340) is 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)C(C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is ANLVFNISNDWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(12(16)15-7-6-14-2)10-4-3-5-11(13)8-10/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide?
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119500340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).