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

C15H22BrN3O — CID 106619754

IUPAC4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCCCN(CC1CCCN1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-8-19(10-12-4-3-7-18-12)14-9-11(16)5-6-13(14)15(17)20/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20)
InChIKeyVRGHMRCLRVQVAR-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.52
Rot. Bonds6

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

4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106619754) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106619754
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCCCN(CC1CCCN1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-8-19(10-12-4-3-7-18-12)14-9-11(16)5-6-13(14)15(17)20/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20)
InChIKeyVRGHMRCLRVQVAR-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

4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 107280969
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106619754) is 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide is CCCN(CC1CCCN1)c1cc(Br)ccc1C(N)=O.
What is the InChIKey of 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is VRGHMRCLRVQVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-8-19(10-12-4-3-7-18-12)14-9-11(16)5-6-13(14)15(17)20/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20).
What are the key properties of 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide?
4-bromo-2-[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 4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106619754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).