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

C13H19FN2O — CID 119501543

IUPAC3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(8-13(17)16-7-6-15-2)11-4-3-5-12(14)9-11/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyAYFINBMMXPFNAZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.65
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide (PubChem CID 119501543) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
PubChem CID119501543
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(8-13(17)16-7-6-15-2)11-4-3-5-12(14)9-11/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyAYFINBMMXPFNAZ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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

N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
CID 97317190
2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
(2S)-2-[[2-[3-(3-fluorophenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695191
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide (CID 119501543) is 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide is CNCCNC(=O)CC(C)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is AYFINBMMXPFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(8-13(17)16-7-6-15-2)11-4-3-5-12(14)9-11/h3-5,9-10,15H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide?
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 238.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide is sourced from PubChem (CID 119501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).