3-(4-bromoanilino)propanamide;ethane

C11H17BrN2O — CID 169234714

IUPAC3-(4-bromoanilino)propanamide;ethane
SMILESCC.NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O.C2H6/c10-7-1-3-8(4-2-7)12-6-5-9(11)13;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3
InChIKeyQHKBKEJOOBQMBC-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-bromoanilino)propanamide;ethane

3-(4-bromoanilino)propanamide;ethane (PubChem CID 169234714) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-(4-bromoanilino)propanamide;ethane.

Molecular Properties

Compound Name3-(4-bromoanilino)propanamide;ethane
PubChem CID169234714
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name3-(4-bromoanilino)propanamide;ethane
SMILESCC.NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O.C2H6/c10-7-1-3-8(4-2-7)12-6-5-9(11)13;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3
InChIKeyQHKBKEJOOBQMBC-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-propylanilino)propanamide
CID 43244066
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
1-(4-acetylpiperazin-1-yl)-3-(4-bromoanilino)propan-1-one
CID 109018200
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
CID 145197968
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)propanamide;ethane?
The IUPAC name of 3-(4-bromoanilino)propanamide;ethane (CID 169234714) is 3-(4-bromoanilino)propanamide;ethane.
What is the SMILES notation for 3-(4-bromoanilino)propanamide;ethane?
The canonical SMILES for 3-(4-bromoanilino)propanamide;ethane is CC.NC(=O)CCNc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)propanamide;ethane?
The InChIKey is QHKBKEJOOBQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.C2H6/c10-7-1-3-8(4-2-7)12-6-5-9(11)13;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3.
What are the key properties of 3-(4-bromoanilino)propanamide;ethane?
3-(4-bromoanilino)propanamide;ethane has a molecular weight of 273.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)propanamide;ethane is sourced from PubChem (CID 169234714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).