2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide

C21H25FN2O2 — CID 55974318

IUPAC2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
SMILESCC(C)c1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15(2)17-10-7-16(8-11-17)9-12-20(25)23-13-14-24-21(26)18-5-3-4-6-19(18)22/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJXPPIFDATXHFHA-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.43
Rot. Bonds8

About 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide

2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 55974318) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
PubChem CID55974318
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
SMILESCC(C)c1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15(2)17-10-7-16(8-11-17)9-12-20(25)23-13-14-24-21(26)18-5-3-4-6-19(18)22/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJXPPIFDATXHFHA-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
N-[2-(3-phenylpropanoylamino)ethyl]-2-sulfanylbenzamide
CID 108542237
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
CID 108570802
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide (CID 55974318) is 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide is CC(C)c1ccc(CCC(=O)NCCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is JXPPIFDATXHFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(2)17-10-7-16(8-11-17)9-12-20(25)23-13-14-24-21(26)18-5-3-4-6-19(18)22/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide?
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 55974318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).