3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide

C21H24FNO3 — CID 60574673

IUPAC3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(F)c2)c(OCC2CCCO2)c1
InChIInChI=1S/C21H24FNO3/c1-15-7-9-19(20(12-15)26-14-18-6-3-11-25-18)23-21(24)10-8-16-4-2-5-17(22)13-16/h2,4-5,7,9,12-13,18H,3,6,8,10-11,14H2,1H3,(H,23,24)
InChIKeyYTWMYIYRKYFDJJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.26
Rot. Bonds7

About 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide

3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 60574673) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID60574673
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(F)c2)c(OCC2CCCO2)c1
InChIInChI=1S/C21H24FNO3/c1-15-7-9-19(20(12-15)26-14-18-6-3-11-25-18)23-21(24)10-8-16-4-2-5-17(22)13-16/h2,4-5,7,9,12-13,18H,3,6,8,10-11,14H2,1H3,(H,23,24)
InChIKeyYTWMYIYRKYFDJJ-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60574719
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
CID 95341792
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574269
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 60574673) is 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide is Cc1ccc(NC(=O)CCc2cccc(F)c2)c(OCC2CCCO2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is YTWMYIYRKYFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-15-7-9-19(20(12-15)26-14-18-6-3-11-25-18)23-21(24)10-8-16-4-2-5-17(22)13-16/h2,4-5,7,9,12-13,18H,3,6,8,10-11,14H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 60574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).