3-(aminomethyl)-N-(4-fluorophenyl)pentanamide

C12H17FN2O — CID 81071989

IUPAC3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyXRNPQQWXWLDTGM-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.14
Rot. Bonds5

About 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide

3-(aminomethyl)-N-(4-fluorophenyl)pentanamide (PubChem CID 81071989) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
PubChem CID81071989
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyXRNPQQWXWLDTGM-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide (CID 81071989) is 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide?
The InChIKey is XRNPQQWXWLDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide?
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide has a molecular weight of 224.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 81071989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).