4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide

C17H17ClFN3O2 — CID 2658862

IUPAC4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O2/c1-22(10-12-2-8-15(19)9-3-12)11-16(23)20-21-17(24)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyLSKSSTVAILPQBL-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.37
Rot. Bonds5

About 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide

4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide (PubChem CID 2658862) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide
PubChem CID2658862
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O2/c1-22(10-12-2-8-15(19)9-3-12)11-16(23)20-21-17(24)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyLSKSSTVAILPQBL-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide (CID 2658862) is 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide is CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is LSKSSTVAILPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-22(10-12-2-8-15(19)9-3-12)11-16(23)20-21-17(24)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide?
4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 349.79 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 2658862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).