4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide

C11H15ClN2O3 — CID 66185809

IUPAC4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3/c1-11(17,6-15)5-14-10(16)7-2-3-9(13)8(12)4-7/h2-4,15,17H,5-6,13H2,1H3,(H,14,16)
InChIKeyGFXQWEVZTQMYOF-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.40
Rot. Bonds4

About 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide

4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide (PubChem CID 66185809) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
PubChem CID66185809
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3/c1-11(17,6-15)5-14-10(16)7-2-3-9(13)8(12)4-7/h2-4,15,17H,5-6,13H2,1H3,(H,14,16)
InChIKeyGFXQWEVZTQMYOF-UHFFFAOYSA-N
XLogP0.40
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 66169235
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
4-amino-3-chloro-N',N'-dimethylbenzohydrazide
CID 83013508
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide (CID 66185809) is 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide is CC(O)(CO)CNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The InChIKey is GFXQWEVZTQMYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-11(17,6-15)5-14-10(16)7-2-3-9(13)8(12)4-7/h2-4,15,17H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide has a molecular weight of 258.70 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 66185809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).