N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide

C18H19FN2O3 — CID 51161387

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2O3/c1-11-5-4-6-16(12(11)2)18(23)21-20-17(22)13(3)24-15-9-7-14(19)8-10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFCYPQMKSEBAYIR-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide (PubChem CID 51161387) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
PubChem CID51161387
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2O3/c1-11-5-4-6-16(12(11)2)18(23)21-20-17(22)13(3)24-15-9-7-14(19)8-10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFCYPQMKSEBAYIR-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.67
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

2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide (CID 51161387) is N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)c1C.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?
The InChIKey is FCYPQMKSEBAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-5-4-6-16(12(11)2)18(23)21-20-17(22)13(3)24-15-9-7-14(19)8-10-15/h4-10,13H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide is sourced from PubChem (CID 51161387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).