N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

C17H14BrCl3N2O4 — CID 3354989

IUPACN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H14BrCl3N2O4/c1-9(27-15-5-3-11(20)7-13(15)21)17(25)23-22-16(24)8-26-14-4-2-10(19)6-12(14)18/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyGZUOWYMQJWPMMQ-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.40
Rot. Bonds6

About N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (PubChem CID 3354989) has the molecular formula C17H14BrCl3N2O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
PubChem CID3354989
Molecular FormulaC17H14BrCl3N2O4
Molecular Weight496.57 g/mol
Exact Mass493.92
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H14BrCl3N2O4/c1-9(27-15-5-3-11(20)7-13(15)21)17(25)23-22-16(24)8-26-14-4-2-10(19)6-12(14)18/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyGZUOWYMQJWPMMQ-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.40
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-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methylpropanamide
CID 4926464

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (CID 3354989) is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The InChIKey is GZUOWYMQJWPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl3N2O4/c1-9(27-15-5-3-11(20)7-13(15)21)17(25)23-22-16(24)8-26-14-4-2-10(19)6-12(14)18/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide has a molecular weight of 496.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is sourced from PubChem (CID 3354989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).