3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide

C12H16BrFN2O — CID 81070368

IUPAC3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-8(7-15)5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyGAZSIHMDHOFDOM-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.90
Rot. Bonds5

About 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide

3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide (PubChem CID 81070368) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
PubChem CID81070368
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-8(7-15)5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyGAZSIHMDHOFDOM-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
methyl 5-[3-(aminomethyl)pentanoylamino]-2,4-difluorobenzoate
CID 81070163
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 114231146
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide (CID 81070368) is 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide?
The InChIKey is GAZSIHMDHOFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-8(7-15)5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide?
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide has a molecular weight of 303.17 g/mol, XLogP of 2.90, 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-bromo-2-fluorophenyl)pentanamide is sourced from PubChem (CID 81070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).