2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide

C11H16BrN3O — CID 114884778

IUPAC2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
SMILESCC(C)(CN)Nc1cccc(Br)c1C(N)=O
InChIInChI=1S/C11H16BrN3O/c1-11(2,6-13)15-8-5-3-4-7(12)9(8)10(14)16/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyGUHBQSQIAXBMMO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.70
Rot. Bonds4

About 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide

2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide (PubChem CID 114884778) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
PubChem CID114884778
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
SMILESCC(C)(CN)Nc1cccc(Br)c1C(N)=O
InChIInChI=1S/C11H16BrN3O/c1-11(2,6-13)15-8-5-3-4-7(12)9(8)10(14)16/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyGUHBQSQIAXBMMO-UHFFFAOYSA-N
XLogP1.70
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2-cyanoanilino)-3-methylbutanamide
CID 114142914
2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
2-(3-bromo-2-carbamothioylanilino)acetamide
CID 114881763
2-(3-bromo-2-carbamoylanilino)-3-methylbutanoic acid
CID 114880109
2-bromo-6-[2-(cycloheptylamino)ethylamino]benzamide
CID 114884984
2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide
CID 114887472
3-bromo-1-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
CID 142678350
2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
CID 114884697
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide
CID 115310251
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide
CID 114887503
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
CID 63194773

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide (CID 114884778) is 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide is CC(C)(CN)Nc1cccc(Br)c1C(N)=O.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide?
The InChIKey is GUHBQSQIAXBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(2,6-13)15-8-5-3-4-7(12)9(8)10(14)16/h3-5,15H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide?
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide has a molecular weight of 286.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide is sourced from PubChem (CID 114884778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).