N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide

C20H14FN3O4 — CID 26158826

IUPACN-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14FN3O4/c21-15-6-8-16(9-7-15)22-20(26)14-2-1-3-17(12-14)23-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,26)(H,23,25)
InChIKeyWQZLMUUJPDEYTI-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.24
Rot. Bonds5

About N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide

N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 26158826) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
PubChem CID26158826
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC NameN-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14FN3O4/c21-15-6-8-16(9-7-15)22-20(26)14-2-1-3-17(12-14)23-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,26)(H,23,25)
InChIKeyWQZLMUUJPDEYTI-UHFFFAOYSA-N
XLogP4.24
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905511
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide (CID 26158826) is N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is WQZLMUUJPDEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-15-6-8-16(9-7-15)22-20(26)14-2-1-3-17(12-14)23-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,26)(H,23,25).
What are the key properties of N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide?
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 379.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 26158826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).