4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide

C20H21FN2O3 — CID 126434435

IUPAC4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)C(=O)NC
InChIInChI=1S/C20H21FN2O3/c1-4-18(20(26)22-3)23-19(25)14-7-5-13(6-8-14)17-11-15(21)9-10-16(17)12(2)24/h5-11,18H,4H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyUWAZZEJMLCMBFS-GOSISDBHSA-N
MW356.40 g/mol
LogP2.95
Rot. Bonds6

About 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide

4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 126434435) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide
PubChem CID126434435
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)C(=O)NC
InChIInChI=1S/C20H21FN2O3/c1-4-18(20(26)22-3)23-19(25)14-7-5-13(6-8-14)17-11-15(21)9-10-16(17)12(2)24/h5-11,18H,4H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyUWAZZEJMLCMBFS-GOSISDBHSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide (CID 126434435) is 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide is CC[C@@H](NC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)C(=O)NC.
What is the InChIKey of 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is UWAZZEJMLCMBFS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-4-18(20(26)22-3)23-19(25)14-7-5-13(6-8-14)17-11-15(21)9-10-16(17)12(2)24/h5-11,18H,4H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide?
4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 126434435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).