2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

C14H18BrClN2O — CID 122148776

IUPAC2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-18-5-4-10(9-18)8-17-14(19)7-11-6-12(16)2-3-13(11)15/h2-3,6,10H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyAXQGYEOTFMVFOT-UHFFFAOYSA-N
MW345.67 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 122148776) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
PubChem CID122148776
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-18-5-4-10(9-18)8-17-14(19)7-11-6-12(16)2-3-13(11)15/h2-3,6,10H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyAXQGYEOTFMVFOT-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 75503637
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 166196381
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111709145
N-[[(3R)-1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 124606069
1-[4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 23029946

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (CID 122148776) is 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is CN1CCC(CNC(=O)Cc2cc(Cl)ccc2Br)C1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is AXQGYEOTFMVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-18-5-4-10(9-18)8-17-14(19)7-11-6-12(16)2-3-13(11)15/h2-3,6,10H,4-5,7-9H2,1H3,(H,17,19).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 345.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 122148776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).