3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide

C22H24ClN3O3 — CID 86963899

IUPAC3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide
SMILESCC(CCN1CCOCC1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C22H24ClN3O3/c1-16(8-9-26-10-12-28-13-11-26)25-22(27)17-4-2-5-18(14-17)29-21-7-3-6-20(23)19(21)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27)
InChIKeyPGJPMQFKTLVMOH-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.84
Rot. Bonds7

About 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide

3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide (PubChem CID 86963899) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide
PubChem CID86963899
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide
SMILESCC(CCN1CCOCC1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C22H24ClN3O3/c1-16(8-9-26-10-12-28-13-11-26)25-22(27)17-4-2-5-18(14-17)29-21-7-3-6-20(23)19(21)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27)
InChIKeyPGJPMQFKTLVMOH-UHFFFAOYSA-N
XLogP3.84
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide
CID 86962951
2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
CID 86962975
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
CID 71911480
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(2S)-4-morpholin-4-ylbutan-2-yl]-2-pyridin-3-ylacetamide
CID 95771247
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
2-fluoro-N-(4-morpholin-4-ylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 71976035
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide?
The IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide (CID 86963899) is 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide?
The canonical SMILES for 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide is CC(CCN1CCOCC1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1.
What is the InChIKey of 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide?
The InChIKey is PGJPMQFKTLVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-16(8-9-26-10-12-28-13-11-26)25-22(27)17-4-2-5-18(14-17)29-21-7-3-6-20(23)19(21)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27).
What are the key properties of 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide?
3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide has a molecular weight of 413.91 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide is sourced from PubChem (CID 86963899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).