4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

C18H17ClN2O4 — CID 29281321

IUPAC4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c1-25-16-11-13(19)7-8-14(16)18(24)21-20-17(23)10-9-15(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGMZZHVLZCRPJGO-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.77
Rot. Bonds6

About 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (PubChem CID 29281321) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
PubChem CID29281321
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c1-25-16-11-13(19)7-8-14(16)18(24)21-20-17(23)10-9-15(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGMZZHVLZCRPJGO-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.77
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

N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 31863120
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-chloro-2-methoxybenzohydrazide
CID 32932403
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
CID 7910651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (CID 29281321) is 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The InChIKey is GMZZHVLZCRPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-25-16-11-13(19)7-8-14(16)18(24)21-20-17(23)10-9-15(22)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide has a molecular weight of 360.80 g/mol, XLogP of 2.77, 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'-(4-oxo-4-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 29281321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).