N'-(2-chloroacetyl)-3-hydroxybenzohydrazide

C9H9ClN2O3 — CID 166407635

IUPACN'-(2-chloroacetyl)-3-hydroxybenzohydrazide
SMILESO=C(CCl)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C9H9ClN2O3/c10-5-8(14)11-12-9(15)6-2-1-3-7(13)4-6/h1-4,13H,5H2,(H,11,14)(H,12,15)
InChIKeyVPXGUIXOXLARGN-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.39
Rot. Bonds2

About N'-(2-chloroacetyl)-3-hydroxybenzohydrazide

N'-(2-chloroacetyl)-3-hydroxybenzohydrazide (PubChem CID 166407635) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-3-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-3-hydroxybenzohydrazide
PubChem CID166407635
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC NameN'-(2-chloroacetyl)-3-hydroxybenzohydrazide
SMILESO=C(CCl)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C9H9ClN2O3/c10-5-8(14)11-12-9(15)6-2-1-3-7(13)4-6/h1-4,13H,5H2,(H,11,14)(H,12,15)
InChIKeyVPXGUIXOXLARGN-UHFFFAOYSA-N
XLogP0.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-3-hydroxybenzohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-3-hydroxybenzohydrazide (CID 166407635) is N'-(2-chloroacetyl)-3-hydroxybenzohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-3-hydroxybenzohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-3-hydroxybenzohydrazide is O=C(CCl)NNC(=O)c1cccc(O)c1.
What is the InChIKey of N'-(2-chloroacetyl)-3-hydroxybenzohydrazide?
The InChIKey is VPXGUIXOXLARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-5-8(14)11-12-9(15)6-2-1-3-7(13)4-6/h1-4,13H,5H2,(H,11,14)(H,12,15).
What are the key properties of N'-(2-chloroacetyl)-3-hydroxybenzohydrazide?
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide has a molecular weight of 228.63 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-3-hydroxybenzohydrazide is sourced from PubChem (CID 166407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).