4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide

C22H27FN2O2 — CID 4788176

IUPAC4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-22(2,3)18-11-9-16(10-12-18)21(27)24-14-13-20(26)25(4)15-17-7-5-6-8-19(17)23/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyQIWZZBVIDITLEO-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.90
Rot. Bonds6

About 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 4788176) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide
PubChem CID4788176
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-22(2,3)18-11-9-16(10-12-18)21(27)24-14-13-20(26)25(4)15-17-7-5-6-8-19(17)23/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyQIWZZBVIDITLEO-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide (CID 4788176) is 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide is CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is QIWZZBVIDITLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-22(2,3)18-11-9-16(10-12-18)21(27)24-14-13-20(26)25(4)15-17-7-5-6-8-19(17)23/h5-12H,13-15H2,1-4H3,(H,24,27).
What are the key properties of 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(2-fluorophenyl)methyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 4788176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).