4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide

C28H22F2N4O5 — CID 144729157

IUPAC4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide
SMILESCc1ccc([N+](=O)[O-])c(-c2ccn(C(Cc3ccc(F)cc3)C(=O)NNC(=O)c3ccc(F)cc3)c(=O)c2)c1
InChIInChI=1S/C28H22F2N4O5/c1-17-2-11-24(34(38)39)23(14-17)20-12-13-33(26(35)16-20)25(15-18-3-7-21(29)8-4-18)28(37)32-31-27(36)19-5-9-22(30)10-6-19/h2-14,16,25H,15H2,1H3,(H,31,36)(H,32,37)
InChIKeyRREOWRMZKLEMHV-UHFFFAOYSA-N
MW532.50 g/mol
LogP4.26
Rot. Bonds7

About 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide

4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide (PubChem CID 144729157) has the molecular formula C28H22F2N4O5 and a molecular weight of 532.50 g/mol. Its IUPAC name is 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide
PubChem CID144729157
Molecular FormulaC28H22F2N4O5
Molecular Weight532.50 g/mol
Exact Mass532.16
IUPAC Name4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide
SMILESCc1ccc([N+](=O)[O-])c(-c2ccn(C(Cc3ccc(F)cc3)C(=O)NNC(=O)c3ccc(F)cc3)c(=O)c2)c1
InChIInChI=1S/C28H22F2N4O5/c1-17-2-11-24(34(38)39)23(14-17)20-12-13-33(26(35)16-20)25(15-18-3-7-21(29)8-4-18)28(37)32-31-27(36)19-5-9-22(30)10-6-19/h2-14,16,25H,15H2,1H3,(H,31,36)(H,32,37)
InChIKeyRREOWRMZKLEMHV-UHFFFAOYSA-N
XLogP4.26
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-(4-fluorophenyl)propanoate
CID 86301385
ethane;[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-(4-fluorophenyl)propanoate;methane
CID 144729150
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-nitroaniline
CID 63541846
3-(4-fluorophenyl)-4-nitrobenzoic acid
CID 46313085
1-(4-fluorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469568
4-fluoro-N-[3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18275153
2-[(4-fluorophenyl)methyl]-3-(4-methyl-2-nitroanilino)propanamide
CID 133389578
3-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 132893045
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3-methyl-4-nitrobenzamide
CID 90516264
4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide (CID 144729157) is 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide is Cc1ccc([N+](=O)[O-])c(-c2ccn(C(Cc3ccc(F)cc3)C(=O)NNC(=O)c3ccc(F)cc3)c(=O)c2)c1.
What is the InChIKey of 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide?
The InChIKey is RREOWRMZKLEMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O5/c1-17-2-11-24(34(38)39)23(14-17)20-12-13-33(26(35)16-20)25(15-18-3-7-21(29)8-4-18)28(37)32-31-27(36)19-5-9-22(30)10-6-19/h2-14,16,25H,15H2,1H3,(H,31,36)(H,32,37).
What are the key properties of 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide?
4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide has a molecular weight of 532.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide is sourced from PubChem (CID 144729157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).