N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide

C22H18ClFN2O3 — CID 18289024

IUPACN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O3/c1-14-12-17(10-11-19(14)23)29-13-15-6-8-16(9-7-15)21(27)25-26-22(28)18-4-2-3-5-20(18)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNBJNTYYNSMKKJP-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.44
Rot. Bonds5

About N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide (PubChem CID 18289024) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
PubChem CID18289024
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC NameN'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O3/c1-14-12-17(10-11-19(14)23)29-13-15-6-8-16(9-7-15)21(27)25-26-22(28)18-4-2-3-5-20(18)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNBJNTYYNSMKKJP-UHFFFAOYSA-N
XLogP4.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.44
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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Related Compounds

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide
CID 7930001
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55756044
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-cyclopropylthiourea
CID 8626251
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327432
N-[1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24658052
N-[3-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30458940

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide (CID 18289024) is N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide is Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)ccc1Cl.
What is the InChIKey of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
The InChIKey is NBJNTYYNSMKKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-14-12-17(10-11-19(14)23)29-13-15-6-8-16(9-7-15)21(27)25-26-22(28)18-4-2-3-5-20(18)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide?
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide has a molecular weight of 412.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 18289024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).