4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide

C22H27FN2O2 — CID 55920082

IUPAC4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O2/c1-5-22(3,4)25-21(27)17-8-12-19(13-9-17)24-20(26)14-15(2)16-6-10-18(23)11-7-16/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYHGPBDVCYZZKPP-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.88
Rot. Bonds7

About 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide

4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 55920082) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID55920082
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O2/c1-5-22(3,4)25-21(27)17-8-12-19(13-9-17)24-20(26)14-15(2)16-6-10-18(23)11-7-16/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYHGPBDVCYZZKPP-UHFFFAOYSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
N,3-bis(4-methylphenyl)butanamide
CID 2750905
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
N-[[4-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 881390
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide (CID 55920082) is 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is YHGPBDVCYZZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-5-22(3,4)25-21(27)17-8-12-19(13-9-17)24-20(26)14-15(2)16-6-10-18(23)11-7-16/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide?
4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 370.47 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 55920082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).