N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C20H18Cl2F3N3O4 — CID 35184424

IUPACN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18Cl2F3N3O4/c21-14-7-8-16(15(22)10-14)32-9-1-2-17(29)27-28-18(30)11-26-19(31)12-3-5-13(6-4-12)20(23,24)25/h3-8,10H,1-2,9,11H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyIGIMYZGEFLCZJU-UHFFFAOYSA-N
MW492.28 g/mol
LogP3.75
Rot. Bonds8

About N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 35184424) has the molecular formula C20H18Cl2F3N3O4 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID35184424
Molecular FormulaC20H18Cl2F3N3O4
Molecular Weight492.28 g/mol
Exact Mass491.06
IUPAC NameN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18Cl2F3N3O4/c21-14-7-8-16(15(22)10-14)32-9-1-2-17(29)27-28-18(30)11-26-19(31)12-3-5-13(6-4-12)20(23,24)25/h3-8,10H,1-2,9,11H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyIGIMYZGEFLCZJU-UHFFFAOYSA-N
XLogP3.75
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.28
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
CID 24538219
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
CID 3382871

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 35184424) is N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is IGIMYZGEFLCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3O4/c21-14-7-8-16(15(22)10-14)32-9-1-2-17(29)27-28-18(30)11-26-19(31)12-3-5-13(6-4-12)20(23,24)25/h3-8,10H,1-2,9,11H2,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 492.28 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 35184424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).