4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide

C25H26FNO2 — CID 7961623

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H26FNO2/c1-17-5-12-21(26)15-23(17)27-24(28)19-8-6-18(7-9-19)16-29-22-13-10-20(11-14-22)25(2,3)4/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyONTLEQQSIZWFJQ-UHFFFAOYSA-N
MW391.49 g/mol
LogP6.26
Rot. Bonds5

About 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide

4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide (PubChem CID 7961623) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
PubChem CID7961623
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H26FNO2/c1-17-5-12-21(26)15-23(17)27-24(28)19-8-6-18(7-9-19)16-29-22-13-10-20(11-14-22)25(2,3)4/h5-15H,16H2,1-4H3,(H,27,28)
InChIKeyONTLEQQSIZWFJQ-UHFFFAOYSA-N
XLogP6.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
3-(4-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 18208025
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9077789
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
4-[(4-tert-butylphenoxy)methyl]-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2469636
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide (CID 7961623) is 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide is Cc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The InChIKey is ONTLEQQSIZWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-17-5-12-21(26)15-23(17)27-24(28)19-8-6-18(7-9-19)16-29-22-13-10-20(11-14-22)25(2,3)4/h5-15H,16H2,1-4H3,(H,27,28).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 7961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).