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

C10H13BrClFN2O — CID 119281028

IUPAC4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O.ClH/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyQDXWYRUKBUHDFN-UHFFFAOYSA-N
MW311.58 g/mol
LogP2.69
Rot. Bonds4

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

4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride (PubChem CID 119281028) has the molecular formula C10H13BrClFN2O and a molecular weight of 311.58 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
PubChem CID119281028
Molecular FormulaC10H13BrClFN2O
Molecular Weight311.58 g/mol
Exact Mass309.99
IUPAC Name4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O.ClH/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyQDXWYRUKBUHDFN-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.58
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
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CID 120559836
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
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3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
potassium [3-(5-bromo-2-fluoroanilino)-3-oxopropyl]-trifluoroboranuide
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ethyl 4-(5-bromo-2-fluoroanilino)-4-oxobutanoate
CID 63938681
methyl 3-(4-aminobutanoylamino)-4-fluorobenzoate;hydrochloride
CID 119278007
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride (CID 119281028) is 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride?
The InChIKey is QDXWYRUKBUHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O.ClH/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H.
What are the key properties of 4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride?
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride has a molecular weight of 311.58 g/mol, XLogP of 2.69, 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)butanamide;hydrochloride is sourced from PubChem (CID 119281028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).