4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide

C17H15Cl3N2O4 — CID 55821337

IUPAC4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl3N2O4/c1-9(26-11-4-6-13(19)14(20)8-11)16(23)21-22-17(24)12-5-3-10(18)7-15(12)25-2/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZZBRGFNECSFNSO-UHFFFAOYSA-N
MW417.68 g/mol
LogP3.88
Rot. Bonds5

About 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide

4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide (PubChem CID 55821337) has the molecular formula C17H15Cl3N2O4 and a molecular weight of 417.68 g/mol. Its IUPAC name is 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
PubChem CID55821337
Molecular FormulaC17H15Cl3N2O4
Molecular Weight417.68 g/mol
Exact Mass416.01
IUPAC Name4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl3N2O4/c1-9(26-11-4-6-13(19)14(20)8-11)16(23)21-22-17(24)12-5-3-10(18)7-15(12)25-2/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZZBRGFNECSFNSO-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 53.88
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

4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55821592
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
3,6-dichloro-N'-(4-chloro-2-methoxybenzoyl)pyridine-2-carbohydrazide
CID 35855860
4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
CID 34596366
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
1-[2-(3,4-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)thiourea
CID 2957216
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893897
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide (CID 55821337) is 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide?
The InChIKey is ZZBRGFNECSFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O4/c1-9(26-11-4-6-13(19)14(20)8-11)16(23)21-22-17(24)12-5-3-10(18)7-15(12)25-2/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide?
4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide has a molecular weight of 417.68 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 55821337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).