3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide

C18H17ClFN3O4 — CID 24553694

IUPAC3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClFN3O4/c1-11(27-15-7-5-14(20)6-8-15)17(25)23-22-16(24)10-21-18(26)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHVIOLULBIZXPNR-UHFFFAOYSA-N
MW393.80 g/mol
LogP1.82
Rot. Bonds6

About 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24553694) has the molecular formula C18H17ClFN3O4 and a molecular weight of 393.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID24553694
Molecular FormulaC18H17ClFN3O4
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClFN3O4/c1-11(27-15-7-5-14(20)6-8-15)17(25)23-22-16(24)10-21-18(26)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHVIOLULBIZXPNR-UHFFFAOYSA-N
XLogP1.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 51.82
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-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 43004148
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide (CID 24553694) is 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is HVIOLULBIZXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O4/c1-11(27-15-7-5-14(20)6-8-15)17(25)23-22-16(24)10-21-18(26)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 393.80 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24553694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).