N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

C18H15ClN4O4 — CID 7907326

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H15ClN4O4/c1-10-8-11(6-7-14(10)19)27-9-15(24)20-23-18(26)16-12-4-2-3-5-13(12)17(25)22-21-16/h2-8H,9H2,1H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyHSHXTKCCFRAJQM-UHFFFAOYSA-N
MW386.80 g/mol
LogP1.72
Rot. Bonds4

About N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 7907326) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID7907326
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C18H15ClN4O4/c1-10-8-11(6-7-14(10)19)27-9-15(24)20-23-18(26)16-12-4-2-3-5-13(12)17(25)22-21-16/h2-8H,9H2,1H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyHSHXTKCCFRAJQM-UHFFFAOYSA-N
XLogP1.72
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907393
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide
CID 24514501
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea
CID 24559610
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 18164851

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (CID 7907326) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is Cc1cc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)ccc1Cl.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is HSHXTKCCFRAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c1-10-8-11(6-7-14(10)19)27-9-15(24)20-23-18(26)16-12-4-2-3-5-13(12)17(25)22-21-16/h2-8H,9H2,1H3,(H,20,24)(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 386.80 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 7907326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).