3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide

C10H12Br2N2O — CID 62669244

IUPAC3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyCTMLZTRFGNXGCK-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide

3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide (PubChem CID 62669244) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
PubChem CID62669244
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyCTMLZTRFGNXGCK-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide (CID 62669244) is 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide is CC(CN)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide?
The InChIKey is CTMLZTRFGNXGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-6(5-13)10(15)14-9-3-2-7(11)4-8(9)12/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide?
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide has a molecular weight of 336.03 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide is sourced from PubChem (CID 62669244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).