N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride

C10H13BrClFN2O — CID 119384307

IUPACN-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
SMILESCl.NCCNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O.ClH/c11-8-5-7(1-2-9(8)12)6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyFLMFGHYKTBWNBL-UHFFFAOYSA-N
MW311.58 g/mol
LogP1.63
Rot. Bonds4

About N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride (PubChem CID 119384307) has the molecular formula C10H13BrClFN2O and a molecular weight of 311.58 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
PubChem CID119384307
Molecular FormulaC10H13BrClFN2O
Molecular Weight311.58 g/mol
Exact Mass309.99
IUPAC NameN-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
SMILESCl.NCCNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O.ClH/c11-8-5-7(1-2-9(8)12)6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyFLMFGHYKTBWNBL-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119432592
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CID 119507812
N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
CID 55885659
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
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N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
(3-bromo-4-fluorophenyl)methylurea
CID 131036089
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 60526818
(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
CID 53360787
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CID 116551731

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride (CID 119384307) is N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride is Cl.NCCNC(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride?
The InChIKey is FLMFGHYKTBWNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O.ClH/c11-8-5-7(1-2-9(8)12)6-10(15)14-4-3-13;/h1-2,5H,3-4,6,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride has a molecular weight of 311.58 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119384307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).