(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone

C12H16ClN3O2 — CID 62247369

IUPAC(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2NN)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-8-7-16(4-5-18-8)12(17)10-6-9(13)2-3-11(10)15-14/h2-3,6,8,15H,4-5,7,14H2,1H3
InChIKeyHDLFGQPXYIJNQM-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.49
Rot. Bonds2

About (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone

(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 62247369) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID62247369
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2NN)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-8-7-16(4-5-18-8)12(17)10-6-9(13)2-3-11(10)15-14/h2-3,6,8,15H,4-5,7,14H2,1H3
InChIKeyHDLFGQPXYIJNQM-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
[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
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone (CID 62247369) is (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Cl)ccc2NN)CCO1.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is HDLFGQPXYIJNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-7-16(4-5-18-8)12(17)10-6-9(13)2-3-11(10)15-14/h2-3,6,8,15H,4-5,7,14H2,1H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone?
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 62247369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).