3-chloro-N-morpholin-4-ium-4-ylbenzamide

C11H14ClN2O2+ — CID 4532354

IUPAC3-chloro-N-morpholin-4-ium-4-ylbenzamide
SMILESO=C(N[NH+]1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)/p+1
InChIKeyUDULKTROMQUOAW-UHFFFAOYSA-O
MW241.70 g/mol
LogP-0.10
Rot. Bonds2

About 3-chloro-N-morpholin-4-ium-4-ylbenzamide

3-chloro-N-morpholin-4-ium-4-ylbenzamide (PubChem CID 4532354) has the molecular formula C11H14ClN2O2+ and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-chloro-N-morpholin-4-ium-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-morpholin-4-ium-4-ylbenzamide
PubChem CID4532354
Molecular FormulaC11H14ClN2O2+
Molecular Weight241.70 g/mol
Exact Mass241.07
IUPAC Name3-chloro-N-morpholin-4-ium-4-ylbenzamide
SMILESO=C(N[NH+]1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)/p+1
InChIKeyUDULKTROMQUOAW-UHFFFAOYSA-O
XLogP-0.10
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8730957
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
CID 71792689
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-chloro-N-(2,2,2-trichloro-1-morpholin-4-ylethyl)benzamide
CID 3092687
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-morpholin-4-ium-4-ylbenzamide?
The IUPAC name of 3-chloro-N-morpholin-4-ium-4-ylbenzamide (CID 4532354) is 3-chloro-N-morpholin-4-ium-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-morpholin-4-ium-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-morpholin-4-ium-4-ylbenzamide is O=C(N[NH+]1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-morpholin-4-ium-4-ylbenzamide?
The InChIKey is UDULKTROMQUOAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)/p+1.
What are the key properties of 3-chloro-N-morpholin-4-ium-4-ylbenzamide?
3-chloro-N-morpholin-4-ium-4-ylbenzamide has a molecular weight of 241.70 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-morpholin-4-ium-4-ylbenzamide is sourced from PubChem (CID 4532354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).