2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

C21H23FN2O4 — CID 43059773

IUPAC2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCOc1cccc(F)c1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H23FN2O4/c22-15-5-3-6-16(13-15)28-12-10-20(25)24-19-9-2-1-8-18(19)21(26)23-14-17-7-4-11-27-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,26)(H,24,25)
InChIKeyLPBPYBPFWMFVMZ-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.14
Rot. Bonds8

About 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43059773) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43059773
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CCOc1cccc(F)c1)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C21H23FN2O4/c22-15-5-3-6-16(13-15)28-12-10-20(25)24-19-9-2-1-8-18(19)21(26)23-14-17-7-4-11-27-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,26)(H,24,25)
InChIKeyLPBPYBPFWMFVMZ-UHFFFAOYSA-N
XLogP3.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-[(3-butoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4957114
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013881
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 43059773) is 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CCOc1cccc(F)c1)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LPBPYBPFWMFVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c22-15-5-3-6-16(13-15)28-12-10-20(25)24-19-9-2-1-8-18(19)21(26)23-14-17-7-4-11-27-17/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,26)(H,24,25).
What are the key properties of 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 386.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43059773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).