N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride

C19H24BrClN2O2 — CID 119547618

IUPACN-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O2.ClH/c20-16-6-10-18(11-7-16)24-14-2-1-3-19(23)22-13-12-15-4-8-17(21)9-5-15;/h4-11H,1-3,12-14,21H2,(H,22,23);1H
InChIKeyJDSHJQFREBINPY-UHFFFAOYSA-N
MW427.77 g/mol
LogP4.36
Rot. Bonds9

About N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride (PubChem CID 119547618) has the molecular formula C19H24BrClN2O2 and a molecular weight of 427.77 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
PubChem CID119547618
Molecular FormulaC19H24BrClN2O2
Molecular Weight427.77 g/mol
Exact Mass426.07
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O2.ClH/c20-16-6-10-18(11-7-16)24-14-2-1-3-19(23)22-13-12-15-4-8-17(21)9-5-15;/h4-11H,1-3,12-14,21H2,(H,22,23);1H
InChIKeyJDSHJQFREBINPY-UHFFFAOYSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide
CID 119548220
N-[2-(4-aminophenyl)ethyl]-4-(3-bromophenoxy)butanamide
CID 119548665
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide
CID 119549392
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 119547548
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride (CID 119547618) is N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)CCCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The InChIKey is JDSHJQFREBINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2.ClH/c20-16-6-10-18(11-7-16)24-14-2-1-3-19(23)22-13-12-15-4-8-17(21)9-5-15;/h4-11H,1-3,12-14,21H2,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride has a molecular weight of 427.77 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride is sourced from PubChem (CID 119547618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).