2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide

C18H20BrNO2 — CID 19171423

IUPAC2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-3-5-14-8-10-16(11-9-14)20-18(21)13-22-17-7-4-6-15(19)12-17/h4,6-12H,2-3,5,13H2,1H3,(H,20,21)
InChIKeyNRTKWGPNGSOINW-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.81
Rot. Bonds7

About 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide

2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide (PubChem CID 19171423) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
PubChem CID19171423
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-3-5-14-8-10-16(11-9-14)20-18(21)13-22-17-7-4-6-15(19)12-17/h4,6-12H,2-3,5,13H2,1H3,(H,20,21)
InChIKeyNRTKWGPNGSOINW-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenoxy)-N-(4-butylphenyl)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

2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
CID 4843107
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788208
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide (CID 19171423) is 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)COc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide?
The InChIKey is NRTKWGPNGSOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-2-3-5-14-8-10-16(11-9-14)20-18(21)13-22-17-7-4-6-15(19)12-17/h4,6-12H,2-3,5,13H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide?
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 19171423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).