N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H24BrN3O — CID 106613634

IUPACN-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CC1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O/c1-12(13-5-7-14(17)8-6-13)19-16(21)11-20(2)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyGYUCMXCFTDVCPV-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106613634) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106613634
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CC1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O/c1-12(13-5-7-14(17)8-6-13)19-16(21)11-20(2)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyGYUCMXCFTDVCPV-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 81359749
N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614096
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106613634) is N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CC(NC(=O)CN(C)CC1CCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is GYUCMXCFTDVCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-12(13-5-7-14(17)8-6-13)19-16(21)11-20(2)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106613634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).