3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide

C14H19ClN2O3 — CID 102935941

IUPAC3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2Cl)CC(CO)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-17(7-12(8-18)20-9)6-11-3-2-10(14(16)19)4-13(11)15/h2-4,9,12,18H,5-8H2,1H3,(H2,16,19)
InChIKeyFTNMQPDKFYSSFR-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.02
Rot. Bonds4

About 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide

3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide (PubChem CID 102935941) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
PubChem CID102935941
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2Cl)CC(CO)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-17(7-12(8-18)20-9)6-11-3-2-10(14(16)19)4-13(11)15/h2-4,9,12,18H,5-8H2,1H3,(H2,16,19)
InChIKeyFTNMQPDKFYSSFR-UHFFFAOYSA-N
XLogP1.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666774
[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102933524
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 102669284
1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
CID 102933623
3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
CID 102669720
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide (CID 102935941) is 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide is CC1CN(Cc2ccc(C(N)=O)cc2Cl)CC(CO)O1.
What is the InChIKey of 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide?
The InChIKey is FTNMQPDKFYSSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9-5-17(7-12(8-18)20-9)6-11-3-2-10(14(16)19)4-13(11)15/h2-4,9,12,18H,5-8H2,1H3,(H2,16,19).
What are the key properties of 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide?
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide has a molecular weight of 298.77 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 102935941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).