N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide

C17H17BrClNO2 — CID 112793922

IUPACN-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H17BrClNO2/c1-20(10-11-22-15-8-6-14(18)7-9-15)17(21)12-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3
InChIKeyPRDJEVBAMUTUKP-UHFFFAOYSA-N
MW382.69 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide

N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide (PubChem CID 112793922) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
PubChem CID112793922
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H17BrClNO2/c1-20(10-11-22-15-8-6-14(18)7-9-15)17(21)12-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3
InChIKeyPRDJEVBAMUTUKP-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436
2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202681
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide (CID 112793922) is N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide is CN(CCOc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide?
The InChIKey is PRDJEVBAMUTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-20(10-11-22-15-8-6-14(18)7-9-15)17(21)12-13-4-2-3-5-16(13)19/h2-9H,10-12H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide?
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide has a molecular weight of 382.69 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 112793922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).