2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride

C18H22BrClN2O2 — CID 119432773

IUPAC2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
SMILESCNCCCNC(=O)C(Oc1cccc(Br)c1)c1ccccc1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-20-11-6-12-21-18(22)17(14-7-3-2-4-8-14)23-16-10-5-9-15(19)13-16;/h2-5,7-10,13,17,20H,6,11-12H2,1H3,(H,21,22);1H
InChIKeyLROXNNOXFCKRSY-UHFFFAOYSA-N
MW413.74 g/mol
LogP3.72
Rot. Bonds8

About 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride

2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride (PubChem CID 119432773) has the molecular formula C18H22BrClN2O2 and a molecular weight of 413.74 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
PubChem CID119432773
Molecular FormulaC18H22BrClN2O2
Molecular Weight413.74 g/mol
Exact Mass412.06
IUPAC Name2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
SMILESCNCCCNC(=O)C(Oc1cccc(Br)c1)c1ccccc1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-20-11-6-12-21-18(22)17(14-7-3-2-4-8-14)23-16-10-5-9-15(19)13-16;/h2-5,7-10,13,17,20H,6,11-12H2,1H3,(H,21,22);1H
InChIKeyLROXNNOXFCKRSY-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
(2R)-2-(3-bromophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7818419
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830330
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 51958231
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119997803
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride (CID 119432773) is 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride is CNCCCNC(=O)C(Oc1cccc(Br)c1)c1ccccc1.Cl.
What is the InChIKey of 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride?
The InChIKey is LROXNNOXFCKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2.ClH/c1-20-11-6-12-21-18(22)17(14-7-3-2-4-8-14)23-16-10-5-9-15(19)13-16;/h2-5,7-10,13,17,20H,6,11-12H2,1H3,(H,21,22);1H.
What are the key properties of 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride?
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride has a molecular weight of 413.74 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).