N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide

C20H23FN2O2 — CID 133251866

IUPACN-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-3-14(2)22-20(25)16-9-5-7-11-18(16)23-19(24)13-12-15-8-4-6-10-17(15)21/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOWPOERAWSIWKSY-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.93
Rot. Bonds7

About N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide

N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide (PubChem CID 133251866) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
PubChem CID133251866
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-3-14(2)22-20(25)16-9-5-7-11-18(16)23-19(24)13-12-15-8-4-6-10-17(15)21/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOWPOERAWSIWKSY-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide (CID 133251866) is N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1F.
What is the InChIKey of N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide?
The InChIKey is OWPOERAWSIWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-14(2)22-20(25)16-9-5-7-11-18(16)23-19(24)13-12-15-8-4-6-10-17(15)21/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide?
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 133251866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).