4-amino-3-chloro-N-hydroxy-N-methylbenzamide

C8H9ClN2O2 — CID 131124028

IUPAC4-amino-3-chloro-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-11(13)8(12)5-2-3-7(10)6(9)4-5/h2-4,13H,10H2,1H3
InChIKeyHPPPWEGXFITHML-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.38
Rot. Bonds1

About 4-amino-3-chloro-N-hydroxy-N-methylbenzamide

4-amino-3-chloro-N-hydroxy-N-methylbenzamide (PubChem CID 131124028) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-amino-3-chloro-N-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-hydroxy-N-methylbenzamide
PubChem CID131124028
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name4-amino-3-chloro-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-11(13)8(12)5-2-3-7(10)6(9)4-5/h2-4,13H,10H2,1H3
InChIKeyHPPPWEGXFITHML-UHFFFAOYSA-N
XLogP1.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892
4-amino-3-chloro-N',N'-dimethylbenzohydrazide
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4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 57327360
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646832
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252
4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-hydroxy-N-methylbenzamide?
The IUPAC name of 4-amino-3-chloro-N-hydroxy-N-methylbenzamide (CID 131124028) is 4-amino-3-chloro-N-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-amino-3-chloro-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-hydroxy-N-methylbenzamide?
The InChIKey is HPPPWEGXFITHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11(13)8(12)5-2-3-7(10)6(9)4-5/h2-4,13H,10H2,1H3.
What are the key properties of 4-amino-3-chloro-N-hydroxy-N-methylbenzamide?
4-amino-3-chloro-N-hydroxy-N-methylbenzamide has a molecular weight of 200.62 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 131124028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).