4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide

C20H23ClN2O4 — CID 55821592

IUPAC4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H23ClN2O4/c1-12(2)14-6-5-7-16(10-14)27-13(3)19(24)22-23-20(25)17-9-8-15(21)11-18(17)26-4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyRFOGEKQZNQSZBO-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.70
Rot. Bonds6

About 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide

4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide (PubChem CID 55821592) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
PubChem CID55821592
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H23ClN2O4/c1-12(2)14-6-5-7-16(10-14)27-13(3)19(24)22-23-20(25)17-9-8-15(21)11-18(17)26-4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyRFOGEKQZNQSZBO-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.70
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-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337
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
4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
CID 34596366
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
CID 55792231
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide (CID 55821592) is 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The InChIKey is RFOGEKQZNQSZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-12(2)14-6-5-7-16(10-14)27-13(3)19(24)22-23-20(25)17-9-8-15(21)11-18(17)26-4/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide?
4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 55821592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).