N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide

C24H22FNO2 — CID 19062960

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H22FNO2/c1-24(2,3)19-11-7-16(8-12-19)22(27)18-5-4-6-21(15-18)26-23(28)17-9-13-20(25)14-10-17/h4-15H,1-3H3,(H,26,28)
InChIKeyQRJMHQNGRXHQOU-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.61
Rot. Bonds4

About N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide

N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide (PubChem CID 19062960) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
PubChem CID19062960
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H22FNO2/c1-24(2,3)19-11-7-16(8-12-19)22(27)18-5-4-6-21(15-18)26-23(28)17-9-13-20(25)14-10-17/h4-15H,1-3H3,(H,26,28)
InChIKeyQRJMHQNGRXHQOU-UHFFFAOYSA-N
XLogP5.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
CID 146322592
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617026
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 28580327
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide (CID 19062960) is N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide is CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide?
The InChIKey is QRJMHQNGRXHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-24(2,3)19-11-7-16(8-12-19)22(27)18-5-4-6-21(15-18)26-23(28)17-9-13-20(25)14-10-17/h4-15H,1-3H3,(H,26,28).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide has a molecular weight of 375.44 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 19062960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).