N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide

C17H15BrCl2N2O4 — CID 17096539

IUPACN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C17H15BrCl2N2O4/c1-10-2-4-12(5-3-10)25-8-15(23)21-22-16(24)9-26-17-13(18)6-11(19)7-14(17)20/h2-7H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyOTGXQIAJYONXCC-UHFFFAOYSA-N
MW462.13 g/mol
LogP3.67
Rot. Bonds6

About N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide (PubChem CID 17096539) has the molecular formula C17H15BrCl2N2O4 and a molecular weight of 462.13 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
PubChem CID17096539
Molecular FormulaC17H15BrCl2N2O4
Molecular Weight462.13 g/mol
Exact Mass459.96
IUPAC NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C17H15BrCl2N2O4/c1-10-2-4-12(5-3-10)25-8-15(23)21-22-16(24)9-26-17-13(18)6-11(19)7-14(17)20/h2-7H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyOTGXQIAJYONXCC-UHFFFAOYSA-N
XLogP3.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.13
LogP ≤ 53.67
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

methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
CID 17095463
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide (CID 17096539) is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide?
The InChIKey is OTGXQIAJYONXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O4/c1-10-2-4-12(5-3-10)25-8-15(23)21-22-16(24)9-26-17-13(18)6-11(19)7-14(17)20/h2-7H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide?
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide has a molecular weight of 462.13 g/mol, XLogP of 3.67, 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-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide is sourced from PubChem (CID 17096539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).