N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride

C13H18BrClN2O2 — CID 119616000

IUPACN-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)COc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H17BrN2O2.ClH/c14-10-2-1-3-11(6-10)18-8-13(17)16-12(7-15)9-4-5-9;/h1-3,6,9,12H,4-5,7-8,15H2,(H,16,17);1H
InChIKeyWFLHBADNVVCSLT-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.10
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride (PubChem CID 119616000) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
PubChem CID119616000
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)COc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H17BrN2O2.ClH/c14-10-2-1-3-11(6-10)18-8-13(17)16-12(7-15)9-4-5-9;/h1-3,6,9,12H,4-5,7-8,15H2,(H,16,17);1H
InChIKeyWFLHBADNVVCSLT-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119616986
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119616028
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride (CID 119616000) is N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride is Cl.NCC(NC(=O)COc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The InChIKey is WFLHBADNVVCSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c14-10-2-1-3-11(6-10)18-8-13(17)16-12(7-15)9-4-5-9;/h1-3,6,9,12H,4-5,7-8,15H2,(H,16,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).