N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide

C15H20BrN3O2 — CID 61364086

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)9-19(10-14(17)20)15(21)8-13-2-1-7-18-13/h3-6,13,18H,1-2,7-10H2,(H2,17,20)
InChIKeyMMSOVLULCARTCI-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.41
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61364086) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61364086
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)9-19(10-14(17)20)15(21)8-13-2-1-7-18-13/h3-6,13,18H,1-2,7-10H2,(H2,17,20)
InChIKeyMMSOVLULCARTCI-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160465
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-piperidin-2-ylacetamide
CID 55003946
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 61364086) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)CC1CCCN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is MMSOVLULCARTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-5-3-11(4-6-12)9-19(10-14(17)20)15(21)8-13-2-1-7-18-13/h3-6,13,18H,1-2,7-10H2,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 354.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).