4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride

C11H15BrClFN2O — CID 120559836

IUPAC4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cc(Br)ccc1F.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-7(14)2-5-11(16)15-10-6-8(12)3-4-9(10)13;/h3-4,6-7H,2,5,14H2,1H3,(H,15,16);1H
InChIKeyAOWMSOXIDNDRID-UHFFFAOYSA-N
MW325.61 g/mol
LogP3.08
Rot. Bonds4

About 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride

4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride (PubChem CID 120559836) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
PubChem CID120559836
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC Name4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cc(Br)ccc1F.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-7(14)2-5-11(16)15-10-6-8(12)3-4-9(10)13;/h3-4,6-7H,2,5,14H2,1H3,(H,15,16);1H
InChIKeyAOWMSOXIDNDRID-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
CID 119281028
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
ethyl 4-(5-bromo-2-fluoroanilino)-4-oxobutanoate
CID 63938681
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
potassium [3-(5-bromo-2-fluoroanilino)-3-oxopropyl]-trifluoroboranuide
CID 118704617
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
2-amino-3-(5-bromo-2-fluoroanilino)-3-oxopropanoic acid
CID 115179141
4-(5-bromo-2-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302137

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride (CID 120559836) is 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cc(Br)ccc1F.Cl.
What is the InChIKey of 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride?
The InChIKey is AOWMSOXIDNDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-7(14)2-5-11(16)15-10-6-8(12)3-4-9(10)13;/h3-4,6-7H,2,5,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride?
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride has a molecular weight of 325.61 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120559836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).