N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide

C14H18FNO3 — CID 97053400

IUPACN-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCOc1ccc(F)c(NC(=O)CC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H18FNO3/c1-18-11-4-6-12(15)13(9-11)16-14(17)7-5-10-3-2-8-19-10/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWJTOBJMKXGPLEY-JTQLQIEISA-N
MW267.30 g/mol
LogP2.73
Rot. Bonds5

About N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide

N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 97053400) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID97053400
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCOc1ccc(F)c(NC(=O)CC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H18FNO3/c1-18-11-4-6-12(15)13(9-11)16-14(17)7-5-10-3-2-8-19-10/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWJTOBJMKXGPLEY-JTQLQIEISA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
CID 60568461

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide (CID 97053400) is N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide is COc1ccc(F)c(NC(=O)CC[C@@H]2CCCO2)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is WJTOBJMKXGPLEY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-11-4-6-12(15)13(9-11)16-14(17)7-5-10-3-2-8-19-10/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide?
N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 267.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 97053400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).