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

C13H20ClN3O2 — CID 107196251

IUPAC5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
SMILESCCN(CC(C)(C)O)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-4-17(7-13(2,3)19)11-9(12(16)18)5-8(15)6-10(11)14/h5-6,19H,4,7,15H2,1-3H3,(H2,16,18)
InChIKeySBRAASDCQRKUTD-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.62
Rot. Bonds5

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

5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide (PubChem CID 107196251) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
PubChem CID107196251
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
SMILESCCN(CC(C)(C)O)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-4-17(7-13(2,3)19)11-9(12(16)18)5-8(15)6-10(11)14/h5-6,19H,4,7,15H2,1-3H3,(H2,16,18)
InChIKeySBRAASDCQRKUTD-UHFFFAOYSA-N
XLogP1.62
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.62
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

methyl 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoate
CID 107196250
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
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-(ethylamino)benzamide
CID 107192494
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
5-amino-3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 107195901
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
4-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoic acid
CID 79385876
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-2-[bis(2-methylpropyl)amino]-3-chlorobenzoic acid
CID 107194462

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide (CID 107196251) is 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide is CCN(CC(C)(C)O)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
The InChIKey is SBRAASDCQRKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-17(7-13(2,3)19)11-9(12(16)18)5-8(15)6-10(11)14/h5-6,19H,4,7,15H2,1-3H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide?
5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide has a molecular weight of 285.78 g/mol, XLogP of 1.62, 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-hydroxy-2-methylpropyl)amino]benzamide is sourced from PubChem (CID 107196251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).