2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide

C22H25FN2O4 — CID 133255501

IUPAC2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C22H25FN2O4/c1-2-20(29-16-11-9-15(23)10-12-16)22(27)25-19-8-4-3-7-18(19)21(26)24-14-17-6-5-13-28-17/h3-4,7-12,17,20H,2,5-6,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyWUMMVTQRMCYDCQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.53
Rot. Bonds8

About 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 133255501) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID133255501
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C22H25FN2O4/c1-2-20(29-16-11-9-15(23)10-12-16)22(27)25-19-8-4-3-7-18(19)21(26)24-14-17-6-5-13-28-17/h3-4,7-12,17,20H,2,5-6,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyWUMMVTQRMCYDCQ-UHFFFAOYSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760
2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 28577313
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
2-[2-(4-bromophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415608
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30380376
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40746933
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 133255501) is 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WUMMVTQRMCYDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-2-20(29-16-11-9-15(23)10-12-16)22(27)25-19-8-4-3-7-18(19)21(26)24-14-17-6-5-13-28-17/h3-4,7-12,17,20H,2,5-6,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 400.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 133255501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).