3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide

C12H15Br3N2O — CID 60854870

IUPAC3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
SMILESCC(C)NCCC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O/c1-7(2)16-4-3-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyZOHKQWKCWOAYMF-UHFFFAOYSA-N
MW442.98 g/mol
LogP4.30
Rot. Bonds5

About 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide

3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide (PubChem CID 60854870) has the molecular formula C12H15Br3N2O and a molecular weight of 442.98 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
PubChem CID60854870
Molecular FormulaC12H15Br3N2O
Molecular Weight442.98 g/mol
Exact Mass439.87
IUPAC Name3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
SMILESCC(C)NCCC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O/c1-7(2)16-4-3-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyZOHKQWKCWOAYMF-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide (CID 60854870) is 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide is CC(C)NCCC(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide?
The InChIKey is ZOHKQWKCWOAYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br3N2O/c1-7(2)16-4-3-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide?
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide has a molecular weight of 442.98 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide is sourced from PubChem (CID 60854870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).