4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

C17H16ClFN4O4 — CID 24546305

IUPAC4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H16ClFN4O4/c1-10(27-14-5-3-2-4-12(14)19)16(25)23-22-15(24)9-21-17(26)13-8-11(18)6-7-20-13/h2-8,10H,9H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyYBYGQHKFARFKHB-UHFFFAOYSA-N
MW394.79 g/mol
LogP1.22
Rot. Bonds6

About 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 24546305) has the molecular formula C17H16ClFN4O4 and a molecular weight of 394.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID24546305
Molecular FormulaC17H16ClFN4O4
Molecular Weight394.79 g/mol
Exact Mass394.08
IUPAC Name4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H16ClFN4O4/c1-10(27-14-5-3-2-4-12(14)19)16(25)23-22-15(24)9-21-17(26)13-8-11(18)6-7-20-13/h2-8,10H,9H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyYBYGQHKFARFKHB-UHFFFAOYSA-N
XLogP1.22
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
3-chloro-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24553694
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (CID 24546305) is 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is CC(Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is YBYGQHKFARFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O4/c1-10(27-14-5-3-2-4-12(14)19)16(25)23-22-15(24)9-21-17(26)13-8-11(18)6-7-20-13/h2-8,10H,9H2,1H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 394.79 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 24546305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).