N-(2-tert-butylphenyl)-3-phenoxybenzamide

C23H23NO2 — CID 7920156

IUPACN-(2-tert-butylphenyl)-3-phenoxybenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-23(2,3)20-14-7-8-15-21(20)24-22(25)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-16H,1-3H3,(H,24,25)
InChIKeyIXSVWSVCYGQQSF-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.03
Rot. Bonds4

About N-(2-tert-butylphenyl)-3-phenoxybenzamide

N-(2-tert-butylphenyl)-3-phenoxybenzamide (PubChem CID 7920156) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-phenoxybenzamide
PubChem CID7920156
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-(2-tert-butylphenyl)-3-phenoxybenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-23(2,3)20-14-7-8-15-21(20)24-22(25)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-16H,1-3H3,(H,24,25)
InChIKeyIXSVWSVCYGQQSF-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

N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-phenoxybenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-phenoxybenzamide (CID 7920156) is N-(2-tert-butylphenyl)-3-phenoxybenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-phenoxybenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-phenoxybenzamide is CC(C)(C)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-phenoxybenzamide?
The InChIKey is IXSVWSVCYGQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2,3)20-14-7-8-15-21(20)24-22(25)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-16H,1-3H3,(H,24,25).
What are the key properties of N-(2-tert-butylphenyl)-3-phenoxybenzamide?
N-(2-tert-butylphenyl)-3-phenoxybenzamide 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 N-(2-tert-butylphenyl)-3-phenoxybenzamide is sourced from PubChem (CID 7920156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).