2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide

C17H24BrClN4O3 — CID 118354207

IUPAC2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)N(C)C2CCN(C)CC2)C(N)=O)c(Cl)c1Br
InChIInChI=1S/C17H24BrClN4O3/c1-22-8-6-10(7-9-22)23(2)17(25)21-15(16(20)24)11-4-5-12(26-3)13(18)14(11)19/h4-5,10,15H,6-9H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyQSXVLWNIDVZAQN-UHFFFAOYSA-N
MW447.76 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide

2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide (PubChem CID 118354207) has the molecular formula C17H24BrClN4O3 and a molecular weight of 447.76 g/mol. Its IUPAC name is 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide
PubChem CID118354207
Molecular FormulaC17H24BrClN4O3
Molecular Weight447.76 g/mol
Exact Mass446.07
IUPAC Name2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide
SMILESCOc1ccc(C(NC(=O)N(C)C2CCN(C)CC2)C(N)=O)c(Cl)c1Br
InChIInChI=1S/C17H24BrClN4O3/c1-22-8-6-10(7-9-22)23(2)17(25)21-15(16(20)24)11-4-5-12(26-3)13(18)14(11)19/h4-5,10,15H,6-9H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyQSXVLWNIDVZAQN-UHFFFAOYSA-N
XLogP2.37
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide?
The IUPAC name of 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide (CID 118354207) is 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide.
What is the SMILES notation for 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide?
The canonical SMILES for 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide is COc1ccc(C(NC(=O)N(C)C2CCN(C)CC2)C(N)=O)c(Cl)c1Br.
What is the InChIKey of 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide?
The InChIKey is QSXVLWNIDVZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClN4O3/c1-22-8-6-10(7-9-22)23(2)17(25)21-15(16(20)24)11-4-5-12(26-3)13(18)14(11)19/h4-5,10,15H,6-9H2,1-3H3,(H2,20,24)(H,21,25).
What are the key properties of 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide?
2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide has a molecular weight of 447.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-chloro-4-methoxyphenyl)-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetamide is sourced from PubChem (CID 118354207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).