2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide

C18H21BrN2O2 — CID 120830330

IUPAC2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
SMILESCNC(C)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-13(20-2)12-21-18(22)17(14-6-4-3-5-7-14)23-16-10-8-15(19)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,21,22)
InChIKeyDNJHTBQINQHKHA-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.29
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide

2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide (PubChem CID 120830330) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
PubChem CID120830330
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
SMILESCNC(C)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-13(20-2)12-21-18(22)17(14-6-4-3-5-7-14)23-16-10-8-15(19)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,21,22)
InChIKeyDNJHTBQINQHKHA-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119997803
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119613614
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
[(2S)-2-(4-bromophenoxy)propyl]carbamic acid
CID 68731194
3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120830071
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide (CID 120830330) is 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide is CNC(C)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The InChIKey is DNJHTBQINQHKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(20-2)12-21-18(22)17(14-6-4-3-5-7-14)23-16-10-8-15(19)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide has a molecular weight of 377.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide is sourced from PubChem (CID 120830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).