5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H15ClN2O2 — CID 43498518

IUPAC5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyPQNHEKHTFKDQIO-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.42
Rot. Bonds3

About 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 43498518) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID43498518
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyPQNHEKHTFKDQIO-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 43498518) is 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is PQNHEKHTFKDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 242.71 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 43498518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).