5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide

C11H16ClN3O2 — CID 107195645

IUPAC5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
SMILESCC(O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-6(16)5-15(2)10-8(11(14)17)3-7(13)4-9(10)12/h3-4,6,16H,5,13H2,1-2H3,(H2,14,17)
InChIKeySXYGFHXBMNMOKH-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.84
Rot. Bonds4

About 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide

5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide (PubChem CID 107195645) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
PubChem CID107195645
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
SMILESCC(O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-6(16)5-15(2)10-8(11(14)17)3-7(13)4-9(10)12/h3-4,6,16H,5,13H2,1-2H3,(H2,14,17)
InChIKeySXYGFHXBMNMOKH-UHFFFAOYSA-N
XLogP0.84
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
CID 107196614
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
5-amino-2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-chlorobenzamide
CID 107195251
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
5-amino-2-[bis(2-methylpropyl)amino]-3-chlorobenzoic acid
CID 107194462
5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 107196251
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 107185944

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide (CID 107195645) is 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide is CC(O)CN(C)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide?
The InChIKey is SXYGFHXBMNMOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6(16)5-15(2)10-8(11(14)17)3-7(13)4-9(10)12/h3-4,6,16H,5,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide?
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide has a molecular weight of 257.72 g/mol, XLogP of 0.84, 4 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-[2-hydroxypropyl(methyl)amino]benzamide is sourced from PubChem (CID 107195645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).