N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide

C16H17BrN2O — CID 24750191

IUPACN-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyOKYAPNKEZRTVMT-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide

N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide (PubChem CID 24750191) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide
PubChem CID24750191
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyOKYAPNKEZRTVMT-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide (CID 24750191) is N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide is CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide?
The InChIKey is OKYAPNKEZRTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide?
N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-(3-bromophenyl)anilino)ethyl]acetamide is sourced from PubChem (CID 24750191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).