N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide

C13H18BrClN2O2 — CID 119996642

IUPACN-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(CN)CNC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O2/c1-9(7-16)8-17-13(18)4-5-19-12-3-2-10(15)6-11(12)14/h2-3,6,9H,4-5,7-8,16H2,1H3,(H,17,18)
InChIKeyLDRVHIHAIRVADS-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.58
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide

N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide (PubChem CID 119996642) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
PubChem CID119996642
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(CN)CNC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O2/c1-9(7-16)8-17-13(18)4-5-19-12-3-2-10(15)6-11(12)14/h2-3,6,9H,4-5,7-8,16H2,1H3,(H,17,18)
InChIKeyLDRVHIHAIRVADS-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-chloro-2-nitrophenoxy)propanamide
CID 119995399
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447156
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119565539
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide (CID 119996642) is N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide is CC(CN)CNC(=O)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide?
The InChIKey is LDRVHIHAIRVADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2/c1-9(7-16)8-17-13(18)4-5-19-12-3-2-10(15)6-11(12)14/h2-3,6,9H,4-5,7-8,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide?
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide has a molecular weight of 349.66 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide is sourced from PubChem (CID 119996642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).