4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide

C22H20Cl2N2O2 — CID 2227481

IUPAC4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20Cl2N2O2/c23-17-13-14-21(20(24)16-17)28-15-7-12-22(27)25-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,27)
InChIKeyJFWFEDLZUTUNBX-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.02
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide

4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide (PubChem CID 2227481) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
PubChem CID2227481
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20Cl2N2O2/c23-17-13-14-21(20(24)16-17)28-15-7-12-22(27)25-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,27)
InChIKeyJFWFEDLZUTUNBX-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.02
H-Bond Donors ≤ 51
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

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
6-(2,4-dichlorophenoxy)-1-phenylhexane-1,3-dione
CID 59520440
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide
CID 22301216
N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide
CID 22311389
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide (CID 2227481) is 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide?
The InChIKey is JFWFEDLZUTUNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-17-13-14-21(20(24)16-17)28-15-7-12-22(27)25-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16H,7,12,15H2,(H,25,27).
What are the key properties of 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide?
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide has a molecular weight of 415.32 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide is sourced from PubChem (CID 2227481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).