N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide

C23H20Cl2N2O3 — CID 3267153

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c24-19-12-13-21(20(25)15-19)30-14-4-7-22(28)26-27-23(29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29)
InChIKeyFKXHFENEEWZXEN-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.28
Rot. Bonds7

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide (PubChem CID 3267153) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
PubChem CID3267153
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c24-19-12-13-21(20(25)15-19)30-14-4-7-22(28)26-27-23(29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29)
InChIKeyFKXHFENEEWZXEN-UHFFFAOYSA-N
XLogP5.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
N-[4-[[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]carbamoyl]phenyl]benzamide
CID 3301009
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
CID 3382871
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
CID 24538219
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 35184424
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide (CID 3267153) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide?
The InChIKey is FKXHFENEEWZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c24-19-12-13-21(20(25)15-19)30-14-4-7-22(28)26-27-23(29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide has a molecular weight of 443.33 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 3267153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).