5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide

C12H17ClN2O2 — CID 66839637

IUPAC5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide
SMILESNNC(=O)C(CCCCl)c1ccccc1CO
InChIInChI=1S/C12H17ClN2O2/c13-7-3-6-11(12(17)15-14)10-5-2-1-4-9(10)8-16/h1-2,4-5,11,16H,3,6-8,14H2,(H,15,17)
InChIKeyPSGDWFPNHGCNOX-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.27
Rot. Bonds6

About 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide

5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide (PubChem CID 66839637) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide.

Molecular Properties

Compound Name5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide
PubChem CID66839637
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide
SMILESNNC(=O)C(CCCCl)c1ccccc1CO
InChIInChI=1S/C12H17ClN2O2/c13-7-3-6-11(12(17)15-14)10-5-2-1-4-9(10)8-16/h1-2,4-5,11,16H,3,6-8,14H2,(H,15,17)
InChIKeyPSGDWFPNHGCNOX-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide
CID 67067303
2-[2-(hydroxymethyl)phenyl]hept-6-enoic acid
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CID 67909568
[4-chloro-1-(2-chlorophenyl)butyl]hydrazine
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2-naphthalen-1-ylpropanehydrazide
CID 116843953
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
2-(2-ethylphenyl)butanamide
CID 69466890
2-thiophen-2-ylhexanehydrazide
CID 174523282
2-amino-2-(2-chlorophenyl)acetohydrazide;hydrochloride
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(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
CID 54528476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide?
The IUPAC name of 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide (CID 66839637) is 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide.
What is the SMILES notation for 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide?
The canonical SMILES for 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide is NNC(=O)C(CCCCl)c1ccccc1CO.
What is the InChIKey of 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide?
The InChIKey is PSGDWFPNHGCNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c13-7-3-6-11(12(17)15-14)10-5-2-1-4-9(10)8-16/h1-2,4-5,11,16H,3,6-8,14H2,(H,15,17).
What are the key properties of 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide?
5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide has a molecular weight of 256.73 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(hydroxymethyl)phenyl]pentanehydrazide is sourced from PubChem (CID 66839637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).