N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide

C14H19BrN2O3 — CID 102633567

IUPACN-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
SMILESCC1CNCC(COCC(=O)Nc2ccc(Br)cc2)O1
InChIInChI=1S/C14H19BrN2O3/c1-10-6-16-7-13(20-10)8-19-9-14(18)17-12-4-2-11(15)3-5-12/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyMVPIHXMVLLNNLU-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.78
Rot. Bonds5

About N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide

N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide (PubChem CID 102633567) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
PubChem CID102633567
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
SMILESCC1CNCC(COCC(=O)Nc2ccc(Br)cc2)O1
InChIInChI=1S/C14H19BrN2O3/c1-10-6-16-7-13(20-10)8-19-9-14(18)17-12-4-2-11(15)3-5-12/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyMVPIHXMVLLNNLU-UHFFFAOYSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide (CID 102633567) is N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide is CC1CNCC(COCC(=O)Nc2ccc(Br)cc2)O1.
What is the InChIKey of N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide?
The InChIKey is MVPIHXMVLLNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10-6-16-7-13(20-10)8-19-9-14(18)17-12-4-2-11(15)3-5-12/h2-5,10,13,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide?
N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide has a molecular weight of 343.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide is sourced from PubChem (CID 102633567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).