2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide

C18H17ClN2O3 — CID 110366991

IUPAC2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2ccccc2)C(=O)CO1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-16-9-5-4-8-15(16)18(23)20-10-14-11-21(17(22)12-24-14)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyYUBSLACODYRSNP-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide

2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide (PubChem CID 110366991) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
PubChem CID110366991
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2ccccc2)C(=O)CO1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-16-9-5-4-8-15(16)18(23)20-10-14-11-21(17(22)12-24-14)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyYUBSLACODYRSNP-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
2-chloro-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-6-fluorobenzamide
CID 110367504
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide (CID 110366991) is 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide is O=C(NCC1CN(c2ccccc2)C(=O)CO1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide?
The InChIKey is YUBSLACODYRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-16-9-5-4-8-15(16)18(23)20-10-14-11-21(17(22)12-24-14)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23).
What are the key properties of 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide?
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide has a molecular weight of 344.80 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 110366991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).