2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide

C21H23FN4O4 — CID 43035304

IUPAC2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
SMILESCCCn1c(=O)n(CC(=O)NNC(=O)C(C)Oc2ccccc2F)c2ccccc21
InChIInChI=1S/C21H23FN4O4/c1-3-12-25-16-9-5-6-10-17(16)26(21(25)29)13-19(27)23-24-20(28)14(2)30-18-11-7-4-8-15(18)22/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQVUYRRDKWBKNJY-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.97
Rot. Bonds7

About 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide

2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide (PubChem CID 43035304) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
PubChem CID43035304
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
SMILESCCCn1c(=O)n(CC(=O)NNC(=O)C(C)Oc2ccccc2F)c2ccccc21
InChIInChI=1S/C21H23FN4O4/c1-3-12-25-16-9-5-6-10-17(16)26(21(25)29)13-19(27)23-24-20(28)14(2)30-18-11-7-4-8-15(18)22/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQVUYRRDKWBKNJY-UHFFFAOYSA-N
XLogP1.97
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 55405766
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653812
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide (CID 43035304) is 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide is CCCn1c(=O)n(CC(=O)NNC(=O)C(C)Oc2ccccc2F)c2ccccc21.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide?
The InChIKey is QVUYRRDKWBKNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4/c1-3-12-25-16-9-5-6-10-17(16)26(21(25)29)13-19(27)23-24-20(28)14(2)30-18-11-7-4-8-15(18)22/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide?
2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide has a molecular weight of 414.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 43035304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).