N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide

C18H19BrN2O3 — CID 46580359

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-12(14-4-3-5-16(10-14)21-13(2)22)20-18(23)11-24-17-8-6-15(19)7-9-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUIEZEDSQOSDMNS-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.66
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide

N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide (PubChem CID 46580359) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
PubChem CID46580359
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O3/c1-12(14-4-3-5-16(10-14)21-13(2)22)20-18(23)11-24-17-8-6-15(19)7-9-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUIEZEDSQOSDMNS-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide (CID 46580359) is N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide is CC(=O)Nc1cccc(C(C)NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is UIEZEDSQOSDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12(14-4-3-5-16(10-14)21-13(2)22)20-18(23)11-24-17-8-6-15(19)7-9-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide?
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 46580359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).