N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide

C25H24F2N2O3 — CID 134087466

IUPACN-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H24F2N2O3/c1-25(2,3)16-10-8-15(9-11-16)18-13-12-17(14-21(18)32-4)28-24(31)29-23(30)22-19(26)6-5-7-20(22)27/h5-14H,1-4H3,(H2,28,29,30,31)
InChIKeyANPQTFURSNCIND-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.90
Rot. Bonds4

About N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 134087466) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID134087466
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC NameN-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H24F2N2O3/c1-25(2,3)16-10-8-15(9-11-16)18-13-12-17(14-21(18)32-4)28-24(31)29-23(30)22-19(26)6-5-7-20(22)27/h5-14H,1-4H3,(H2,28,29,30,31)
InChIKeyANPQTFURSNCIND-UHFFFAOYSA-N
XLogP5.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134097670
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100483
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134104722
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100481
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,3,4,5,6-pentafluoro-N-[[3-methoxy-4-[2-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134111155
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide (CID 134087466) is N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide is COc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is ANPQTFURSNCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c1-25(2,3)16-10-8-15(9-11-16)18-13-12-17(14-21(18)32-4)28-24(31)29-23(30)22-19(26)6-5-7-20(22)27/h5-14H,1-4H3,(H2,28,29,30,31).
What are the key properties of N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 438.47 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 134087466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).