4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide

C24H23FN2O2 — CID 10500600

IUPAC4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O2/c1-24(2,3)18-12-8-16(9-13-18)22(28)26-20-6-4-5-7-21(20)27-23(29)17-10-14-19(25)15-11-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyVKKMEGSQXLYBMX-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.63
Rot. Bonds4

About 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide

4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide (PubChem CID 10500600) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
PubChem CID10500600
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O2/c1-24(2,3)18-12-8-16(9-13-18)22(28)26-20-6-4-5-7-21(20)27-23(29)17-10-14-19(25)15-11-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyVKKMEGSQXLYBMX-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
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N-(2,3-dimethylphenyl)-4-fluorobenzamide
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tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
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2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide (CID 10500600) is 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide?
The InChIKey is VKKMEGSQXLYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-24(2,3)18-12-8-16(9-13-18)22(28)26-20-6-4-5-7-21(20)27-23(29)17-10-14-19(25)15-11-17/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide?
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 10500600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).