N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide

C17H17Cl2N3O4 — CID 18206228

IUPACN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4/c1-25-13-5-3-12(4-6-13)20-9-16(23)21-22-17(24)10-26-15-8-11(18)2-7-14(15)19/h2-8,20H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyRBNWRBMGWKWOFA-UHFFFAOYSA-N
MW398.25 g/mol
LogP2.64
Rot. Bonds7

About N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide

N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide (PubChem CID 18206228) has the molecular formula C17H17Cl2N3O4 and a molecular weight of 398.25 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
PubChem CID18206228
Molecular FormulaC17H17Cl2N3O4
Molecular Weight398.25 g/mol
Exact Mass397.06
IUPAC NameN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4/c1-25-13-5-3-12(4-6-13)20-9-16(23)21-22-17(24)10-26-15-8-11(18)2-7-14(15)19/h2-8,20H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyRBNWRBMGWKWOFA-UHFFFAOYSA-N
XLogP2.64
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 55351010
1-[[2-(2,5-dichlorophenoxy)acetyl]amino]-3-methylthiourea
CID 4502855
3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55350863
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 19167991
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 24685752
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide (CID 18206228) is N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide is COc1ccc(NCC(=O)NNC(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide?
The InChIKey is RBNWRBMGWKWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4/c1-25-13-5-3-12(4-6-13)20-9-16(23)21-22-17(24)10-26-15-8-11(18)2-7-14(15)19/h2-8,20H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide?
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide has a molecular weight of 398.25 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide is sourced from PubChem (CID 18206228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).