N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide

C19H21FN2O4 — CID 7965233

IUPACN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O4/c1-12(2)25-16-8-4-14(5-9-16)19(24)22-21-18(23)13(3)26-17-10-6-15(20)7-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyBLDGLZPOYLFDCP-ZDUSSCGKSA-N
MW360.39 g/mol
LogP2.84
Rot. Bonds6

About N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 7965233) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
PubChem CID7965233
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O4/c1-12(2)25-16-8-4-14(5-9-16)19(24)22-21-18(23)13(3)26-17-10-6-15(20)7-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyBLDGLZPOYLFDCP-ZDUSSCGKSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.84
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'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
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
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 43070007
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide (CID 7965233) is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is BLDGLZPOYLFDCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-12(2)25-16-8-4-14(5-9-16)19(24)22-21-18(23)13(3)26-17-10-6-15(20)7-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide?
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 360.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 7965233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).