4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide

C23H22FNO2 — CID 142594929

IUPAC4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FNO2/c1-23(2,3)17-9-7-16(8-10-17)22(26)25-19-11-13-20(14-12-19)27-21-6-4-5-18(24)15-21/h4-15H,1-3H3,(H,25,26)
InChIKeyPFZYAJIZQRWLAV-UHFFFAOYSA-N
MW363.43 g/mol
LogP6.17
Rot. Bonds4

About 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide

4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide (PubChem CID 142594929) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
PubChem CID142594929
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FNO2/c1-23(2,3)17-9-7-16(8-10-17)22(26)25-19-11-13-20(14-12-19)27-21-6-4-5-18(24)15-21/h4-15H,1-3H3,(H,25,26)
InChIKeyPFZYAJIZQRWLAV-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide (CID 142594929) is 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide?
The InChIKey is PFZYAJIZQRWLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-23(2,3)17-9-7-16(8-10-17)22(26)25-19-11-13-20(14-12-19)27-21-6-4-5-18(24)15-21/h4-15H,1-3H3,(H,25,26).
What are the key properties of 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide?
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide has a molecular weight of 363.43 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide is sourced from PubChem (CID 142594929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).