3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide

C18H19ClN2O2 — CID 58315548

IUPAC3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide
SMILESC[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-23-17(10-20-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17+/m0/s1
InChIKeyODDKKIURLFRFMA-YVEFUNNKSA-N
MW330.82 g/mol
LogP3.64
Rot. Bonds3

About 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide

3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide (PubChem CID 58315548) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide
PubChem CID58315548
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide
SMILESC[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-23-17(10-20-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17+/m0/s1
InChIKeyODDKKIURLFRFMA-YVEFUNNKSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 669190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide (CID 58315548) is 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide is C[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1.
What is the InChIKey of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide?
The InChIKey is ODDKKIURLFRFMA-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-11-23-17(10-20-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17+/m0/s1.
What are the key properties of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide?
3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 58315548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).