2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

C15H22BrN3O2 — CID 107280969

IUPAC2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCOCCN(CC1CCCN1)c1ccc(C(N)=O)c(Br)c1
InChIInChI=1S/C15H22BrN3O2/c1-21-8-7-19(10-11-3-2-6-18-11)12-4-5-13(15(17)20)14(16)9-12/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H2,17,20)
InChIKeyGTDDMAJBXGZJBE-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.75
Rot. Bonds7

About 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide

2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 107280969) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID107280969
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCOCCN(CC1CCCN1)c1ccc(C(N)=O)c(Br)c1
InChIInChI=1S/C15H22BrN3O2/c1-21-8-7-19(10-11-3-2-6-18-11)12-4-5-13(15(17)20)14(16)9-12/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H2,17,20)
InChIKeyGTDDMAJBXGZJBE-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620604
3-bromo-5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106620864
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
2-fluoro-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611823
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 107280969) is 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is COCCN(CC1CCCN1)c1ccc(C(N)=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is GTDDMAJBXGZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-21-8-7-19(10-11-3-2-6-18-11)12-4-5-13(15(17)20)14(16)9-12/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H2,17,20).
What are the key properties of 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 356.26 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 107280969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).