3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide

C16H14ClFN2O4 — CID 31720433

IUPAC3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O4/c1-9(24-12-5-3-11(18)4-6-12)15(22)19-20-16(23)10-2-7-14(21)13(17)8-10/h2-9,21H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyXAJIOZKZOHMQKS-VIFPVBQESA-N
MW352.75 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide

3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide (PubChem CID 31720433) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
PubChem CID31720433
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O4/c1-9(24-12-5-3-11(18)4-6-12)15(22)19-20-16(23)10-2-7-14(21)13(17)8-10/h2-9,21H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyXAJIOZKZOHMQKS-VIFPVBQESA-N
XLogP2.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 52.41
H-Bond Donors ≤ 53
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-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 43070007
2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
CID 9091707

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide?
The IUPAC name of 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide (CID 31720433) is 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide?
The InChIKey is XAJIOZKZOHMQKS-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-9(24-12-5-3-11(18)4-6-12)15(22)19-20-16(23)10-2-7-14(21)13(17)8-10/h2-9,21H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1.
What are the key properties of 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide?
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide has a molecular weight of 352.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide is sourced from PubChem (CID 31720433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).