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

C16H15Br2NO2 — CID 7948924

IUPAC2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-11(12-5-7-13(17)8-6-12)19-16(20)10-21-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyHEWDUOSLMMEDCF-NSHDSACASA-N
MW413.11 g/mol
LogP4.47
Rot. Bonds5

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

2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide (PubChem CID 7948924) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
PubChem CID7948924
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-11(12-5-7-13(17)8-6-12)19-16(20)10-21-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyHEWDUOSLMMEDCF-NSHDSACASA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide (CID 7948924) is 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide is C[C@H](NC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The InChIKey is HEWDUOSLMMEDCF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-11(12-5-7-13(17)8-6-12)19-16(20)10-21-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide has a molecular weight of 413.11 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 7948924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).