4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide

C23H22FN3O — CID 112988761

IUPAC4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-18-5-3-17(4-6-18)23(28)26-21-9-7-19(8-10-21)25-20-11-13-22(14-12-20)27-15-1-2-16-27/h3-14,25H,1-2,15-16H2,(H,26,28)
InChIKeyIWZJXMLTARIVAT-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.42
Rot. Bonds5

About 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide

4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide (PubChem CID 112988761) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
PubChem CID112988761
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-18-5-3-17(4-6-18)23(28)26-21-9-7-19(8-10-21)25-20-11-13-22(14-12-20)27-15-1-2-16-27/h3-14,25H,1-2,15-16H2,(H,26,28)
InChIKeyIWZJXMLTARIVAT-UHFFFAOYSA-N
XLogP5.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide (CID 112988761) is 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The InChIKey is IWZJXMLTARIVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-18-5-3-17(4-6-18)23(28)26-21-9-7-19(8-10-21)25-20-11-13-22(14-12-20)27-15-1-2-16-27/h3-14,25H,1-2,15-16H2,(H,26,28).
What are the key properties of 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide is sourced from PubChem (CID 112988761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).