N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide

C14H18BrClN2O — CID 22197692

IUPACN-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyYFLCMBDTHZIDER-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.77
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 22197692) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID22197692
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyYFLCMBDTHZIDER-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666
N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2959932
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 22197692) is N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is YFLCMBDTHZIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 345.67 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 22197692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).