N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide

C15H21BrN2O2 — CID 84588476

IUPACN'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide
SMILESCCNC(=O)CCC(=O)NC(C)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-3-17-14(19)8-9-15(20)18-11(2)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZDZDNAQMLCCSQA-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.41
Rot. Bonds7

About N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide

N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide (PubChem CID 84588476) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide.

Molecular Properties

Compound NameN'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide
PubChem CID84588476
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide
SMILESCCNC(=O)CCC(=O)NC(C)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-3-17-14(19)8-9-15(20)18-11(2)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZDZDNAQMLCCSQA-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide?
The IUPAC name of N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide (CID 84588476) is N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide.
What is the SMILES notation for N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide?
The canonical SMILES for N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide is CCNC(=O)CCC(=O)NC(C)Cc1ccccc1Br.
What is the InChIKey of N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide?
The InChIKey is ZDZDNAQMLCCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-17-14(19)8-9-15(20)18-11(2)10-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide?
N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide has a molecular weight of 341.25 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bromophenyl)propan-2-yl]-N-ethylbutanediamide is sourced from PubChem (CID 84588476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).