3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C13H18ClN2O2+ — CID 6919317

IUPAC3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)/p+1
InChIKeyBUBMOYZWKAXWQP-UHFFFAOYSA-O
MW269.75 g/mol
LogP-0.02
Rot. Bonds4

About 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide

3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 6919317) has the molecular formula C13H18ClN2O2+ and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID6919317
Molecular FormulaC13H18ClN2O2+
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)/p+1
InChIKeyBUBMOYZWKAXWQP-UHFFFAOYSA-O
XLogP-0.02
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 6919317) is 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide is O=C(NCC[NH+]1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is BUBMOYZWKAXWQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)/p+1.
What are the key properties of 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 269.75 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 6919317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).