4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide

C19H13F2N3O3 — CID 91590330

IUPAC4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13F2N3O3/c20-13-2-6-15(7-3-13)22-17-10-1-12(11-18(17)24(26)27)19(25)23-16-8-4-14(21)5-9-16/h1-11,22H,(H,23,25)
InChIKeyQYLUJUDHKUEHBG-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.87
Rot. Bonds5

About 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide

4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide (PubChem CID 91590330) has the molecular formula C19H13F2N3O3 and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
PubChem CID91590330
Molecular FormulaC19H13F2N3O3
Molecular Weight369.33 g/mol
Exact Mass369.09
IUPAC Name4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13F2N3O3/c20-13-2-6-15(7-3-13)22-17-10-1-12(11-18(17)24(26)27)19(25)23-16-8-4-14(21)5-9-16/h1-11,22H,(H,23,25)
InChIKeyQYLUJUDHKUEHBG-UHFFFAOYSA-N
XLogP4.87
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.87
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

4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
N-[4-[1-(4-acetyl-2-nitroanilino)ethyl]phenyl]-4-fluorobenzamide
CID 60521360
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
4-anilino-N-[4-(cyanomethoxy)phenyl]-3-nitrobenzamide
CID 24674135
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
4-anilino-3-nitrobenzoic acid
CID 3824366
4-anilino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865592

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide (CID 91590330) is 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide is O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide?
The InChIKey is QYLUJUDHKUEHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3/c20-13-2-6-15(7-3-13)22-17-10-1-12(11-18(17)24(26)27)19(25)23-16-8-4-14(21)5-9-16/h1-11,22H,(H,23,25).
What are the key properties of 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide?
4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide has a molecular weight of 369.33 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 91590330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).