2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide

C20H22BrNO2 — CID 113101586

IUPAC2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H22BrNO2/c21-18-8-5-15(6-9-18)13-20(23)22-11-12-24-19-10-7-16-3-1-2-4-17(16)14-19/h5-10,14H,1-4,11-13H2,(H,22,23)
InChIKeySWAAVLBOJCGLSN-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (PubChem CID 113101586) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
PubChem CID113101586
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H22BrNO2/c21-18-8-5-15(6-9-18)13-20(23)22-11-12-24-19-10-7-16-3-1-2-4-17(16)14-19/h5-10,14H,1-4,11-13H2,(H,22,23)
InChIKeySWAAVLBOJCGLSN-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)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

2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
CID 55903273
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (CID 113101586) is 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The InChIKey is SWAAVLBOJCGLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c21-18-8-5-15(6-9-18)13-20(23)22-11-12-24-19-10-7-16-3-1-2-4-17(16)14-19/h5-10,14H,1-4,11-13H2,(H,22,23).
What are the key properties of 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide has a molecular weight of 388.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 113101586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).