5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide

C13H18ClN3O2 — CID 107194238

IUPAC5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2c(Cl)cc(N)cc2C(N)=O)CCO1
InChIInChI=1S/C13H18ClN3O2/c1-13(2)7-17(3-4-19-13)11-9(12(16)18)5-8(15)6-10(11)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,18)
InChIKeyNMOARBIAWWTBED-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.64
Rot. Bonds2

About 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide

5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide (PubChem CID 107194238) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide
PubChem CID107194238
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2c(Cl)cc(N)cc2C(N)=O)CCO1
InChIInChI=1S/C13H18ClN3O2/c1-13(2)7-17(3-4-19-13)11-9(12(16)18)5-8(15)6-10(11)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,18)
InChIKeyNMOARBIAWWTBED-UHFFFAOYSA-N
XLogP1.64
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
CID 107195785
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
5-amino-3-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzoic acid
CID 107196307
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
methyl 5-amino-3-chloro-2-(3,3,4-trimethylpiperazin-1-yl)benzoate
CID 107195880
3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 106890868
5-amino-3-chloro-2-(3-ethyl-4-methylpiperazin-1-yl)benzamide
CID 107195878
methyl 5-amino-3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzoate
CID 107195539
5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 107195794
5-amino-3-chloro-2-(2-ethylthiomorpholin-4-yl)benzamide
CID 107196833
4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 133313842
5-amino-3-chloro-2-(2-methylpiperidin-1-yl)benzamide
CID 107192408

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide (CID 107194238) is 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide is CC1(C)CN(c2c(Cl)cc(N)cc2C(N)=O)CCO1.
What is the InChIKey of 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide?
The InChIKey is NMOARBIAWWTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(2)7-17(3-4-19-13)11-9(12(16)18)5-8(15)6-10(11)14/h5-6H,3-4,7,15H2,1-2H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide?
5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 107194238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).