3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride

C12H17BrClFN2O — CID 119745625

IUPAC3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCc1cc(Br)ccc1F.Cl
InChIInChI=1S/C12H16BrFN2O.ClH/c1-8(15)6-12(17)16-5-4-9-7-10(13)2-3-11(9)14;/h2-3,7-8H,4-6,15H2,1H3,(H,16,17);1H
InChIKeyGCIWTGPWBSIVHJ-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.41
Rot. Bonds5

About 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride

3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride (PubChem CID 119745625) has the molecular formula C12H17BrClFN2O and a molecular weight of 339.64 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
PubChem CID119745625
Molecular FormulaC12H17BrClFN2O
Molecular Weight339.64 g/mol
Exact Mass338.02
IUPAC Name3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCc1cc(Br)ccc1F.Cl
InChIInChI=1S/C12H16BrFN2O.ClH/c1-8(15)6-12(17)16-5-4-9-7-10(13)2-3-11(9)14;/h2-3,7-8H,4-6,15H2,1H3,(H,16,17);1H
InChIKeyGCIWTGPWBSIVHJ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
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CID 119745605
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
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ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
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N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
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3-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189514
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
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3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride (CID 119745625) is 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride is CC(N)CC(=O)NCCc1cc(Br)ccc1F.Cl.
What is the InChIKey of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is GCIWTGPWBSIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O.ClH/c1-8(15)6-12(17)16-5-4-9-7-10(13)2-3-11(9)14;/h2-3,7-8H,4-6,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride?
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 339.64 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119745625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).