2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide

C15H22BrN3O — CID 106619692

IUPAC2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCCCN(CC1CCCN1)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-9-19(10-11-5-4-8-18-11)13-7-3-6-12(16)14(13)15(17)20/h3,6-7,11,18H,2,4-5,8-10H2,1H3,(H2,17,20)
InChIKeyLABPVSSRBJLLFQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.52
Rot. Bonds6

About 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide

2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106619692) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106619692
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCCCN(CC1CCCN1)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-9-19(10-11-5-4-8-18-11)13-7-3-6-12(16)14(13)15(17)20/h3,6-7,11,18H,2,4-5,8-10H2,1H3,(H2,17,20)
InChIKeyLABPVSSRBJLLFQ-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
CID 114884942
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 106619617
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
2-bromo-6-(dipropylamino)benzoic acid
CID 114888032
2-bromo-6-(piperidin-2-ylmethoxy)benzamide
CID 114887724

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106619692) is 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide is CCCN(CC1CCCN1)c1cccc(Br)c1C(N)=O.
What is the InChIKey of 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is LABPVSSRBJLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-9-19(10-11-5-4-8-18-11)13-7-3-6-12(16)14(13)15(17)20/h3,6-7,11,18H,2,4-5,8-10H2,1H3,(H2,17,20).
What are the key properties of 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106619692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).