2-[(2-aminocyclopropyl)amino]-6-bromobenzamide

C10H12BrN3O — CID 114884697

IUPAC2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NC1CC1N
InChIInChI=1S/C10H12BrN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15)
InChIKeyZNUUBKNHONRHJQ-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.06
Rot. Bonds3

About 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide

2-[(2-aminocyclopropyl)amino]-6-bromobenzamide (PubChem CID 114884697) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
PubChem CID114884697
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2-[(2-aminocyclopropyl)amino]-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NC1CC1N
InChIInChI=1S/C10H12BrN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15)
InChIKeyZNUUBKNHONRHJQ-UHFFFAOYSA-N
XLogP1.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
CID 62496991
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-bromobenzamide
CID 114884728
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
2-bromo-6-[2-(cycloheptylamino)ethylamino]benzamide
CID 114884984
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
2-bromo-6-[(2-hydroxycycloheptyl)amino]benzenecarbothioamide
CID 114882664
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
CID 114884778
2-bromo-6-[(3,5-dimethylcyclohexyl)amino]benzoic acid
CID 114888288
2-(3-bromo-2-carbamoylanilino)-3-methylbutanoic acid
CID 114880109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide (CID 114884697) is 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide is NC(=O)c1c(Br)cccc1NC1CC1N.
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide?
The InChIKey is ZNUUBKNHONRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-5-2-1-3-7(9(5)10(13)15)14-8-4-6(8)12/h1-3,6,8,14H,4,12H2,(H2,13,15).
What are the key properties of 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide?
2-[(2-aminocyclopropyl)amino]-6-bromobenzamide has a molecular weight of 270.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-6-bromobenzamide is sourced from PubChem (CID 114884697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).