N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide

C18H19Cl2N3O3 — CID 8709687

IUPACN'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
SMILESCN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyPDKSMQLFNGVZQX-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.65
Rot. Bonds7

About N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide

N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide (PubChem CID 8709687) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
PubChem CID8709687
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
SMILESCN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyPDKSMQLFNGVZQX-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 17395658
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]propanamide
CID 100550069
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100688005

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide (CID 8709687) is N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide is CN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide?
The InChIKey is PDKSMQLFNGVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide has a molecular weight of 396.27 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide is sourced from PubChem (CID 8709687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).