2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide

C16H17BrN2O — CID 61118326

IUPAC2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11(12-6-8-14(17)9-7-12)19-16(20)10-13-4-2-3-5-15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeySTVDWJWSUZAUKM-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide

2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide (PubChem CID 61118326) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
PubChem CID61118326
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11(12-6-8-14(17)9-7-12)19-16(20)10-13-4-2-3-5-15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeySTVDWJWSUZAUKM-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661190

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide (CID 61118326) is 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1N)c1ccc(Br)cc1.
What is the InChIKey of 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide?
The InChIKey is STVDWJWSUZAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(12-6-8-14(17)9-7-12)19-16(20)10-13-4-2-3-5-15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide?
2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 61118326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).