4-tert-butyl-N-(2-phenoxyphenyl)benzamide

C23H23NO2 — CID 903986

IUPAC4-tert-butyl-N-(2-phenoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-23(2,3)18-15-13-17(14-16-18)22(25)24-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,24,25)
InChIKeyFHHKHZPAIRPKTO-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.03
Rot. Bonds4

About 4-tert-butyl-N-(2-phenoxyphenyl)benzamide

4-tert-butyl-N-(2-phenoxyphenyl)benzamide (PubChem CID 903986) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenoxyphenyl)benzamide
PubChem CID903986
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-tert-butyl-N-(2-phenoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-23(2,3)18-15-13-17(14-16-18)22(25)24-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,24,25)
InChIKeyFHHKHZPAIRPKTO-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109160992
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
CID 168597138

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-phenoxyphenyl)benzamide (CID 903986) is 4-tert-butyl-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenoxyphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenoxyphenyl)benzamide?
The InChIKey is FHHKHZPAIRPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2,3)18-15-13-17(14-16-18)22(25)24-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-16H,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(2-phenoxyphenyl)benzamide?
4-tert-butyl-N-(2-phenoxyphenyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 6.03, 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-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 903986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).