N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride

C14H19BrCl2N2O2 — CID 119613712

IUPACN-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCOc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C14H18BrClN2O2.ClH/c15-11-7-10(16)3-4-13(11)20-6-5-14(19)18-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,19);1H
InChIKeyNYAJBQLFRRKVMQ-UHFFFAOYSA-N
MW398.13 g/mol
LogP3.15
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride (PubChem CID 119613712) has the molecular formula C14H19BrCl2N2O2 and a molecular weight of 398.13 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
PubChem CID119613712
Molecular FormulaC14H19BrCl2N2O2
Molecular Weight398.13 g/mol
Exact Mass396.00
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCOc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C14H18BrClN2O2.ClH/c15-11-7-10(16)3-4-13(11)20-6-5-14(19)18-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,19);1H
InChIKeyNYAJBQLFRRKVMQ-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.13
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
CID 119614777
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119565539
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119615872
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride (CID 119613712) is N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride is Cl.NCC(NC(=O)CCOc1ccc(Cl)cc1Br)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride?
The InChIKey is NYAJBQLFRRKVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2.ClH/c15-11-7-10(16)3-4-13(11)20-6-5-14(19)18-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride has a molecular weight of 398.13 g/mol, XLogP of 3.15, 7 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)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119613712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).