N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide

C23H19FN4O4 — CID 6034623

IUPACN-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O4/c1-14-3-4-18(13-21(14)28(31)32)23(30)27-26-15(2)16-7-11-20(12-8-16)25-22(29)17-5-9-19(24)10-6-17/h3-13H,1-2H3,(H,25,29)(H,27,30)/b26-15-
InChIKeyUUPQNHBREBMFFG-YSMPRRRNSA-N
MW434.43 g/mol
LogP4.45
Rot. Bonds6

About N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide

N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide (PubChem CID 6034623) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
PubChem CID6034623
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O4/c1-14-3-4-18(13-21(14)28(31)32)23(30)27-26-15(2)16-7-11-20(12-8-16)25-22(29)17-5-9-19(24)10-6-17/h3-13H,1-2H3,(H,25,29)(H,27,30)/b26-15-
InChIKeyUUPQNHBREBMFFG-YSMPRRRNSA-N
XLogP4.45
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460
N-[(4-fluorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 883147
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide (CID 6034623) is N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide is C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide?
The InChIKey is UUPQNHBREBMFFG-YSMPRRRNSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-14-3-4-18(13-21(14)28(31)32)23(30)27-26-15(2)16-7-11-20(12-8-16)25-22(29)17-5-9-19(24)10-6-17/h3-13H,1-2H3,(H,25,29)(H,27,30)/b26-15-.
What are the key properties of N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide?
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide has a molecular weight of 434.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 6034623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).