2-chloro-6-(3-oxomorpholin-4-yl)benzamide

C11H11ClN2O3 — CID 165482514

IUPAC2-chloro-6-(3-oxomorpholin-4-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCOCC1=O
InChIInChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(10(7)11(13)16)14-4-5-17-6-9(14)15/h1-3H,4-6H2,(H2,13,16)
InChIKeyZYCNKMKNQKPABQ-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.80
Rot. Bonds2

About 2-chloro-6-(3-oxomorpholin-4-yl)benzamide

2-chloro-6-(3-oxomorpholin-4-yl)benzamide (PubChem CID 165482514) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-6-(3-oxomorpholin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(3-oxomorpholin-4-yl)benzamide
PubChem CID165482514
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-6-(3-oxomorpholin-4-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCOCC1=O
InChIInChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(10(7)11(13)16)14-4-5-17-6-9(14)15/h1-3H,4-6H2,(H2,13,16)
InChIKeyZYCNKMKNQKPABQ-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-methylphenyl)morpholin-3-one
CID 165473298
2-chloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63100621
[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate
CID 174792483
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
CID 114399438
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
CID 62496366
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 115314662
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-oxomorpholin-4-yl)benzamide?
The IUPAC name of 2-chloro-6-(3-oxomorpholin-4-yl)benzamide (CID 165482514) is 2-chloro-6-(3-oxomorpholin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-6-(3-oxomorpholin-4-yl)benzamide?
The canonical SMILES for 2-chloro-6-(3-oxomorpholin-4-yl)benzamide is NC(=O)c1c(Cl)cccc1N1CCOCC1=O.
What is the InChIKey of 2-chloro-6-(3-oxomorpholin-4-yl)benzamide?
The InChIKey is ZYCNKMKNQKPABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(10(7)11(13)16)14-4-5-17-6-9(14)15/h1-3H,4-6H2,(H2,13,16).
What are the key properties of 2-chloro-6-(3-oxomorpholin-4-yl)benzamide?
2-chloro-6-(3-oxomorpholin-4-yl)benzamide has a molecular weight of 254.67 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-oxomorpholin-4-yl)benzamide is sourced from PubChem (CID 165482514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).