3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide

C15H17ClN2O2 — CID 71792689

IUPAC3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
SMILESO=C(NCC#CCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c16-14-5-3-4-13(12-14)15(19)17-6-1-2-7-18-8-10-20-11-9-18/h3-5,12H,6-11H2,(H,17,19)
InChIKeyNGZMJERNYGQIMB-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.41
Rot. Bonds3

About 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide

3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide (PubChem CID 71792689) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
PubChem CID71792689
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
SMILESO=C(NCC#CCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c16-14-5-3-4-13(12-14)15(19)17-6-1-2-7-18-8-10-20-11-9-18/h3-5,12H,6-11H2,(H,17,19)
InChIKeyNGZMJERNYGQIMB-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylbut-2-ynyl)urea
CID 71792728
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
3-chloro-N-morpholin-4-ium-4-ylbenzamide
CID 4532354
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
3-chloro-N-[(4E)-4-morpholin-4-yliminobutyl]benzamide
CID 162408109
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 46772184
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide?
The IUPAC name of 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide (CID 71792689) is 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide is O=C(NCC#CCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide?
The InChIKey is NGZMJERNYGQIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-14-5-3-4-13(12-14)15(19)17-6-1-2-7-18-8-10-20-11-9-18/h3-5,12H,6-11H2,(H,17,19).
What are the key properties of 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide?
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide has a molecular weight of 292.77 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide is sourced from PubChem (CID 71792689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).