4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

C21H25FN2O2 — CID 3554971

IUPAC4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O2/c1-21(2,3)17-8-6-16(7-9-17)20(26)23-13-12-19(25)24-14-15-4-10-18(22)11-5-15/h4-11H,12-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyYBQZRMNJUSBSHZ-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.56
Rot. Bonds6

About 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 3554971) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID3554971
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O2/c1-21(2,3)17-8-6-16(7-9-17)20(26)23-13-12-19(25)24-14-15-4-10-18(22)11-5-15/h4-11H,12-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyYBQZRMNJUSBSHZ-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide (CID 3554971) is 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is YBQZRMNJUSBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-21(2,3)17-8-6-16(7-9-17)20(26)23-13-12-19(25)24-14-15-4-10-18(22)11-5-15/h4-11H,12-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 3554971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).