N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide

C18H21BrN2O4 — CID 2215048

IUPACN-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4/c1-24-17-10-13(11-20-8-9-22)2-7-16(17)25-12-18(23)21-15-5-3-14(19)4-6-15/h2-7,10,20,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyQLJHMUHQQSCXHS-UHFFFAOYSA-N
MW409.28 g/mol
LogP2.56
Rot. Bonds9

About N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide

N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 2215048) has the molecular formula C18H21BrN2O4 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
PubChem CID2215048
Molecular FormulaC18H21BrN2O4
Molecular Weight409.28 g/mol
Exact Mass408.07
IUPAC NameN-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4/c1-24-17-10-13(11-20-8-9-22)2-7-16(17)25-12-18(23)21-15-5-3-14(19)4-6-15/h2-7,10,20,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyQLJHMUHQQSCXHS-UHFFFAOYSA-N
XLogP2.56
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-bromo-2-methoxy-4-({[3-(4-morpholinyl)propyl]amino}methyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 2962608
2-[4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
2-{5-bromo-4-[(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(2-methylphenyl)acetamide
CID 9564787
2-[5-bromo-4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 11841956
2-[2-bromo-4-({[4-(dimethylamino)phenyl]amino}methyl)-6-ethoxyphenoxy]-N-(tert-butyl)acetamide
CID 1017323
N-(4-Bromophenyl)veratrylamine
CID 766065
(3-Bromo-4-ethoxy-5-methoxybenzyl)[4-(4-morpholinyl)phenyl]amine
CID 979593
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-4-(4-morpholinyl)aniline
CID 979600
4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline
CID 979647
N-[4-(4-acetyl-1-piperazinyl)phenyl]-N-(3-bromo-5-ethoxy-4-methoxybenzyl)amine
CID 979651
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(tert-butyl)acetamide
CID 1017320
2-{2-bromo-6-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy}-N-(tert-butyl)acetamide
CID 1017322

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide (CID 2215048) is N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is QLJHMUHQQSCXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4/c1-24-17-10-13(11-20-8-9-22)2-7-16(17)25-12-18(23)21-15-5-3-14(19)4-6-15/h2-7,10,20,22H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide?
N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 409.28 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 2215048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).