N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide

C13H18BrClN2O — CID 119995419

IUPACN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(CN)CNC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18)
InChIKeyQJEZUKVAYNNBSH-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.75
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide

N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide (PubChem CID 119995419) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
PubChem CID119995419
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(CN)CNC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18)
InChIKeyQJEZUKVAYNNBSH-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119606815
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide (CID 119995419) is N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide is CC(CN)CNC(=O)CCc1cc(Cl)ccc1Br.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide?
The InChIKey is QJEZUKVAYNNBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide?
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide has a molecular weight of 333.66 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide is sourced from PubChem (CID 119995419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).