3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide

C18H20ClN3O2 — CID 3241051

IUPAC3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-5-1-3-14(11-16)18(23)21-13-17(15-4-2-6-20-12-15)22-7-9-24-10-8-22/h1-6,11-12,17H,7-10,13H2,(H,21,23)
InChIKeyVRTJOQXGIRJHGV-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.54
Rot. Bonds5

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

3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (PubChem CID 3241051) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
PubChem CID3241051
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-5-1-3-14(11-16)18(23)21-13-17(15-4-2-6-20-12-15)22-7-9-24-10-8-22/h1-6,11-12,17H,7-10,13H2,(H,21,23)
InChIKeyVRTJOQXGIRJHGV-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (CID 3241051) is 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is O=C(NCC(c1cccnc1)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The InChIKey is VRTJOQXGIRJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-5-1-3-14(11-16)18(23)21-13-17(15-4-2-6-20-12-15)22-7-9-24-10-8-22/h1-6,11-12,17H,7-10,13H2,(H,21,23).
What are the key properties of 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 3241051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).