N-methyl-2-(2,4,6-tribromoanilino)propanamide

C10H11Br3N2O — CID 43126367

IUPACN-methyl-2-(2,4,6-tribromoanilino)propanamide
SMILESCNC(=O)C(C)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H11Br3N2O/c1-5(10(16)14-2)15-9-7(12)3-6(11)4-8(9)13/h3-5,15H,1-2H3,(H,14,16)
InChIKeyBEJSATPWPGLZJW-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.52
Rot. Bonds3

About N-methyl-2-(2,4,6-tribromoanilino)propanamide

N-methyl-2-(2,4,6-tribromoanilino)propanamide (PubChem CID 43126367) has the molecular formula C10H11Br3N2O and a molecular weight of 414.92 g/mol. Its IUPAC name is N-methyl-2-(2,4,6-tribromoanilino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2,4,6-tribromoanilino)propanamide
PubChem CID43126367
Molecular FormulaC10H11Br3N2O
Molecular Weight414.92 g/mol
Exact Mass411.84
IUPAC NameN-methyl-2-(2,4,6-tribromoanilino)propanamide
SMILESCNC(=O)C(C)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H11Br3N2O/c1-5(10(16)14-2)15-9-7(12)3-6(11)4-8(9)13/h3-5,15H,1-2H3,(H,14,16)
InChIKeyBEJSATPWPGLZJW-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,6-tribromoanilino)propanamide?
The IUPAC name of N-methyl-2-(2,4,6-tribromoanilino)propanamide (CID 43126367) is N-methyl-2-(2,4,6-tribromoanilino)propanamide.
What is the SMILES notation for N-methyl-2-(2,4,6-tribromoanilino)propanamide?
The canonical SMILES for N-methyl-2-(2,4,6-tribromoanilino)propanamide is CNC(=O)C(C)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-methyl-2-(2,4,6-tribromoanilino)propanamide?
The InChIKey is BEJSATPWPGLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3N2O/c1-5(10(16)14-2)15-9-7(12)3-6(11)4-8(9)13/h3-5,15H,1-2H3,(H,14,16).
What are the key properties of N-methyl-2-(2,4,6-tribromoanilino)propanamide?
N-methyl-2-(2,4,6-tribromoanilino)propanamide has a molecular weight of 414.92 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,6-tribromoanilino)propanamide is sourced from PubChem (CID 43126367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).