2-chloro-N-hydroxy-N-phenylpropanamide

C9H10ClNO2 — CID 57100198

IUPAC2-chloro-N-hydroxy-N-phenylpropanamide
SMILESCC(Cl)C(=O)N(O)c1ccccc1
InChIInChI=1S/C9H10ClNO2/c1-7(10)9(12)11(13)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyVTGYSKHBBIFBHP-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-N-hydroxy-N-phenylpropanamide

2-chloro-N-hydroxy-N-phenylpropanamide (PubChem CID 57100198) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-hydroxy-N-phenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-hydroxy-N-phenylpropanamide
PubChem CID57100198
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-N-hydroxy-N-phenylpropanamide
SMILESCC(Cl)C(=O)N(O)c1ccccc1
InChIInChI=1S/C9H10ClNO2/c1-7(10)9(12)11(13)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyVTGYSKHBBIFBHP-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
CID 87844242
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
CID 23325989
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
(2S)-2-(N-(2,2-dichloroacetyl)anilino)propanoic acid;hydrochloride
CID 70542986
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
3,5-diacetyl-N-hydroxy-N-phenylbenzamide
CID 87586597
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hydroxy-N-phenylpropanamide?
The IUPAC name of 2-chloro-N-hydroxy-N-phenylpropanamide (CID 57100198) is 2-chloro-N-hydroxy-N-phenylpropanamide.
What is the SMILES notation for 2-chloro-N-hydroxy-N-phenylpropanamide?
The canonical SMILES for 2-chloro-N-hydroxy-N-phenylpropanamide is CC(Cl)C(=O)N(O)c1ccccc1.
What is the InChIKey of 2-chloro-N-hydroxy-N-phenylpropanamide?
The InChIKey is VTGYSKHBBIFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-7(10)9(12)11(13)8-5-3-2-4-6-8/h2-7,13H,1H3.
What are the key properties of 2-chloro-N-hydroxy-N-phenylpropanamide?
2-chloro-N-hydroxy-N-phenylpropanamide has a molecular weight of 199.64 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hydroxy-N-phenylpropanamide is sourced from PubChem (CID 57100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).