2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C19H18Cl2FN3O4 — CID 55741094

IUPAC2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C19H18Cl2FN3O4/c1-10(23-19(28)12-6-5-7-13(20)16(12)21)17(26)24-25-18(27)11(2)29-15-9-4-3-8-14(15)22/h3-11H,1-2H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyINSYPFSFRFRUEC-UHFFFAOYSA-N
MW442.27 g/mol
LogP2.87
Rot. Bonds6

About 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 55741094) has the molecular formula C19H18Cl2FN3O4 and a molecular weight of 442.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID55741094
Molecular FormulaC19H18Cl2FN3O4
Molecular Weight442.27 g/mol
Exact Mass441.07
IUPAC Name2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C19H18Cl2FN3O4/c1-10(23-19(28)12-6-5-7-13(20)16(12)21)17(26)24-25-18(27)11(2)29-15-9-4-3-8-14(15)22/h3-11H,1-2H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyINSYPFSFRFRUEC-UHFFFAOYSA-N
XLogP2.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 52.87
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

(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
N'-[2-(2-fluorophenoxy)propanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499092
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9372574
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
1-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]cyclopropane-1-carbohydrazide
CID 24546269

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 55741094) is 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)C(C)Oc1ccccc1F.
What is the InChIKey of 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is INSYPFSFRFRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O4/c1-10(23-19(28)12-6-5-7-13(20)16(12)21)17(26)24-25-18(27)11(2)29-15-9-4-3-8-14(15)22/h3-11H,1-2H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 442.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55741094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).