5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide

C11H16ClN3O2 — CID 107194374

IUPAC5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
SMILESCCN(CCO)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-2-15(3-4-16)10-8(11(14)17)5-7(13)6-9(10)12/h5-6,16H,2-4,13H2,1H3,(H2,14,17)
InChIKeyYTYHISYFJBVDST-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.84
Rot. Bonds5

About 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide

5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide (PubChem CID 107194374) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
PubChem CID107194374
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
SMILESCCN(CCO)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-2-15(3-4-16)10-8(11(14)17)5-7(13)6-9(10)12/h5-6,16H,2-4,13H2,1H3,(H2,14,17)
InChIKeyYTYHISYFJBVDST-UHFFFAOYSA-N
XLogP0.84
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.84
H-Bond Donors ≤ 53
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-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 107196251
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
5-amino-3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 107195901
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
CID 107196691
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
methyl 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoate
CID 107196250
5-amino-2,3-dichlorobenzamide
CID 107183127

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide (CID 107194374) is 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide is CCN(CCO)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide?
The InChIKey is YTYHISYFJBVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-15(3-4-16)10-8(11(14)17)5-7(13)6-9(10)12/h5-6,16H,2-4,13H2,1H3,(H2,14,17).
What are the key properties of 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide?
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide has a molecular weight of 257.72 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 107194374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).