2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide

C12H16BrN3O — CID 114884757

IUPAC2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
SMILESNC(=O)c1c(Br)cccc1NCC1CCCN1
InChIInChI=1S/C12H16BrN3O/c13-9-4-1-5-10(11(9)12(14)17)16-7-8-3-2-6-15-8/h1,4-5,8,15-16H,2-3,6-7H2,(H2,14,17)
InChIKeyJUWJDMLZHQEXDI-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.71
Rot. Bonds4

About 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide

2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide (PubChem CID 114884757) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
PubChem CID114884757
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
SMILESNC(=O)c1c(Br)cccc1NCC1CCCN1
InChIInChI=1S/C12H16BrN3O/c13-9-4-1-5-10(11(9)12(14)17)16-7-8-3-2-6-15-8/h1,4-5,8,15-16H,2-3,6-7H2,(H2,14,17)
InChIKeyJUWJDMLZHQEXDI-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
2-bromo-6-[2-(cycloheptylamino)ethylamino]benzamide
CID 114884984
2-bromo-6-(piperidin-2-ylmethoxy)benzamide
CID 114887724
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973102
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzamide
CID 118779764
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide?
The IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide (CID 114884757) is 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide.
What is the SMILES notation for 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide?
The canonical SMILES for 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide is NC(=O)c1c(Br)cccc1NCC1CCCN1.
What is the InChIKey of 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide?
The InChIKey is JUWJDMLZHQEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-4-1-5-10(11(9)12(14)17)16-7-8-3-2-6-15-8/h1,4-5,8,15-16H,2-3,6-7H2,(H2,14,17).
What are the key properties of 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide?
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide has a molecular weight of 298.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide is sourced from PubChem (CID 114884757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).