4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile

C13H14ClN3O2 — CID 79676191

IUPAC4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
SMILESCNc1ccc(Cl)cc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H14ClN3O2/c1-16-12-3-2-9(14)6-11(12)13(18)17-4-5-19-10(7-15)8-17/h2-3,6,10,16H,4-5,8H2,1H3
InChIKeyHHPGEPGJAJOCSP-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.75
Rot. Bonds2

About 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile

4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile (PubChem CID 79676191) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
PubChem CID79676191
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
SMILESCNc1ccc(Cl)cc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H14ClN3O2/c1-16-12-3-2-9(14)6-11(12)13(18)17-4-5-19-10(7-15)8-17/h2-3,6,10,16H,4-5,8H2,1H3
InChIKeyHHPGEPGJAJOCSP-UHFFFAOYSA-N
XLogP1.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile (CID 79676191) is 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile is CNc1ccc(Cl)cc1C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile?
The InChIKey is HHPGEPGJAJOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-12-3-2-9(14)6-11(12)13(18)17-4-5-19-10(7-15)8-17/h2-3,6,10,16H,4-5,8H2,1H3.
What are the key properties of 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile?
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile has a molecular weight of 279.73 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79676191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).