N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide

C19H19FN4O4 — CID 55702645

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H19FN4O4/c1-12(28-16-7-5-14(20)6-8-16)17(25)22-23-18(26)13-3-2-4-15(11-13)24-10-9-21-19(24)27/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyHYIKAWJLDPJDDJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP1.58
Rot. Bonds5

About N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide (PubChem CID 55702645) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
PubChem CID55702645
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H19FN4O4/c1-12(28-16-7-5-14(20)6-8-16)17(25)22-23-18(26)13-3-2-4-15(11-13)24-10-9-21-19(24)27/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyHYIKAWJLDPJDDJ-UHFFFAOYSA-N
XLogP1.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 51.58
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

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55559454
N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
methyl 3-(4-fluorophenyl)-3-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoate
CID 55997635
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide (CID 55702645) is N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The InChIKey is HYIKAWJLDPJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-12(28-16-7-5-14(20)6-8-16)17(25)22-23-18(26)13-3-2-4-15(11-13)24-10-9-21-19(24)27/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide has a molecular weight of 386.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide is sourced from PubChem (CID 55702645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).