N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

C14H18Br2N2O3 — CID 79835065

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O3/c1-9-4-11(15)14(12(16)5-9)17-13(20)7-18-2-3-21-10(6-18)8-19/h4-5,10,19H,2-3,6-8H2,1H3,(H,17,20)
InChIKeyMXWFNYOFYLLYMB-UHFFFAOYSA-N
MW422.12 g/mol
LogP2.15
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (PubChem CID 79835065) has the molecular formula C14H18Br2N2O3 and a molecular weight of 422.12 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
PubChem CID79835065
Molecular FormulaC14H18Br2N2O3
Molecular Weight422.12 g/mol
Exact Mass419.97
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O3/c1-9-4-11(15)14(12(16)5-9)17-13(20)7-18-2-3-21-10(6-18)8-19/h4-5,10,19H,2-3,6-8H2,1H3,(H,17,20)
InChIKeyMXWFNYOFYLLYMB-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.12
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2402497
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (CID 79835065) is N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is Cc1cc(Br)c(NC(=O)CN2CCOC(CO)C2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The InChIKey is MXWFNYOFYLLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O3/c1-9-4-11(15)14(12(16)5-9)17-13(20)7-18-2-3-21-10(6-18)8-19/h4-5,10,19H,2-3,6-8H2,1H3,(H,17,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide has a molecular weight of 422.12 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 79835065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).