N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

C21H22FN3O4 — CID 9373705

IUPACN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C21H22FN3O4/c1-14(29-18-9-3-2-8-17(18)22)20(27)23-24-21(28)16-7-4-6-15(12-16)13-25-11-5-10-19(25)26/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m0/s1
InChIKeyMGYFAJFZHIJJPJ-AWEZNQCLSA-N
MW399.42 g/mol
LogP2.18
Rot. Bonds6

About N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 9373705) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID9373705
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C21H22FN3O4/c1-14(29-18-9-3-2-8-17(18)22)20(27)23-24-21(28)16-7-4-6-15(12-16)13-25-11-5-10-19(25)26/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m0/s1
InChIKeyMGYFAJFZHIJJPJ-AWEZNQCLSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.18
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'-[2-(2-fluorophenoxy)propanoyl]-3-(methylsulfonylmethyl)benzohydrazide
CID 55388470
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
ethyl N-[3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
CID 9373628
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
CID 55407334
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (CID 9373705) is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is MGYFAJFZHIJJPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14(29-18-9-3-2-8-17(18)22)20(27)23-24-21(28)16-7-4-6-15(12-16)13-25-11-5-10-19(25)26/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m0/s1.
What are the key properties of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 399.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 9373705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).