3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide

C20H23FN2O3 — CID 113129771

IUPAC3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1OC(C)C
InChIInChI=1S/C20H23FN2O3/c1-14(2)26-19-11-7-6-10-18(19)23(15(3)24)13-12-20(25)22-17-9-5-4-8-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyHFEGEJVCFONLPK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.99
Rot. Bonds7

About 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113129771) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113129771
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1OC(C)C
InChIInChI=1S/C20H23FN2O3/c1-14(2)26-19-11-7-6-10-18(19)23(15(3)24)13-12-20(25)22-17-9-5-4-8-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyHFEGEJVCFONLPK-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide (CID 113129771) is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1OC(C)C.
What is the InChIKey of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is HFEGEJVCFONLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(2)26-19-11-7-6-10-18(19)23(15(3)24)13-12-20(25)22-17-9-5-4-8-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide?
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113129771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).