N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

C21H22Cl2N2O5 — CID 17222499

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H22Cl2N2O5/c1-13(30-19-9-6-15(22)11-18(19)23)20(26)24-25-21(27)14-4-7-16(8-5-14)29-12-17-3-2-10-28-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyUAXJOZLVPKJPTJ-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.78
Rot. Bonds7

About N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (PubChem CID 17222499) has the molecular formula C21H22Cl2N2O5 and a molecular weight of 453.32 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
PubChem CID17222499
Molecular FormulaC21H22Cl2N2O5
Molecular Weight453.32 g/mol
Exact Mass452.09
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H22Cl2N2O5/c1-13(30-19-9-6-15(22)11-18(19)23)20(26)24-25-21(27)14-4-7-16(8-5-14)29-12-17-3-2-10-28-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyUAXJOZLVPKJPTJ-UHFFFAOYSA-N
XLogP3.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
4-bromo-N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 1107974
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2424310
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55337026

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (CID 17222499) is N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The InChIKey is UAXJOZLVPKJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O5/c1-13(30-19-9-6-15(22)11-18(19)23)20(26)24-25-21(27)14-4-7-16(8-5-14)29-12-17-3-2-10-28-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide has a molecular weight of 453.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is sourced from PubChem (CID 17222499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).