N'-(2-chloroacetyl)-2-phenylacetohydrazide

C10H11ClN2O2 — CID 1133001

IUPACN'-(2-chloroacetyl)-2-phenylacetohydrazide
SMILESO=C(CCl)NNC(=O)Cc1ccccc1
InChIInChI=1S/C10H11ClN2O2/c11-7-10(15)13-12-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,15)
InChIKeyKDXVUWFNHBPXTH-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.62
Rot. Bonds3

About N'-(2-chloroacetyl)-2-phenylacetohydrazide

N'-(2-chloroacetyl)-2-phenylacetohydrazide (PubChem CID 1133001) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-phenylacetohydrazide
PubChem CID1133001
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN'-(2-chloroacetyl)-2-phenylacetohydrazide
SMILESO=C(CCl)NNC(=O)Cc1ccccc1
InChIInChI=1S/C10H11ClN2O2/c11-7-10(15)13-12-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,15)
InChIKeyKDXVUWFNHBPXTH-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
CID 139716898
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
trans-(1R,2R)-2-[[(2-phenylacetyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6545228
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
CID 59416194
CID 59416194
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690
N-cyclopropyl-2-phenylacetamide
CID 5175687
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-phenylacetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-phenylacetohydrazide (CID 1133001) is N'-(2-chloroacetyl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-phenylacetohydrazide is O=C(CCl)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-(2-chloroacetyl)-2-phenylacetohydrazide?
The InChIKey is KDXVUWFNHBPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-10(15)13-12-9(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,15).
What are the key properties of N'-(2-chloroacetyl)-2-phenylacetohydrazide?
N'-(2-chloroacetyl)-2-phenylacetohydrazide has a molecular weight of 226.66 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-phenylacetohydrazide is sourced from PubChem (CID 1133001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).