N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide

C18H19BrClFN4O — CID 46808457

IUPACN-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19BrClFN4O/c19-13-4-5-17(22-10-13)23-18(26)12-25-8-6-24(7-9-25)11-14-15(20)2-1-3-16(14)21/h1-5,10H,6-9,11-12H2,(H,22,23,26)
InChIKeyBDQQMAUKYSQHEB-UHFFFAOYSA-N
MW441.73 g/mol
LogP3.39
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 46808457) has the molecular formula C18H19BrClFN4O and a molecular weight of 441.73 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID46808457
Molecular FormulaC18H19BrClFN4O
Molecular Weight441.73 g/mol
Exact Mass440.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19BrClFN4O/c19-13-4-5-17(22-10-13)23-18(26)12-25-8-6-24(7-9-25)11-14-15(20)2-1-3-16(14)21/h1-5,10H,6-9,11-12H2,(H,22,23,26)
InChIKeyBDQQMAUKYSQHEB-UHFFFAOYSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)acrylamide
CID 800747
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-bromo-phenyl)-amide
CID 21037672
N-(2,4-dichlorobenzyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 24160013
N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 139295435
N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-(4-bromo-2-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 5020717
1-(5-Chloropyridin-2-yl)-1-(1-ethylpiperidin-4-yl)-3-(4-fluorobenzyl)urea
CID 46884463
N-((3-bromopyridin-4-yl)methyl)-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide
CID 54581020
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 155516494
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 155563301
N-(5-bromopyridin-2-yl)-2-(4-chlorophenyl)acetamide
CID 738231

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 46808457) is N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is BDQQMAUKYSQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClFN4O/c19-13-4-5-17(22-10-13)23-18(26)12-25-8-6-24(7-9-25)11-14-15(20)2-1-3-16(14)21/h1-5,10H,6-9,11-12H2,(H,22,23,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 441.73 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46808457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).