N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide

C15H22BrN3O — CID 106615116

IUPACN-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)CC1CCCN1
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-14-4-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyZMVCEVPGNUJESM-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.46
Rot. Bonds6

About N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106615116) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106615116
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC NameN-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)CC1CCCN1
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-14-4-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyZMVCEVPGNUJESM-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 103519927
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106615538
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106615116) is N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(Br)cc1)CC1CCCN1.
What is the InChIKey of N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is ZMVCEVPGNUJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19(10-14-4-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 340.26 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106615116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).