2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide

C14H18FNO2 — CID 95973495

IUPAC2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1
InChIKeyWNYGXQQEIBTZBS-LBPRGKRZSA-N
MW251.30 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide

2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide (PubChem CID 95973495) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
PubChem CID95973495
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1
InChIKeyWNYGXQQEIBTZBS-LBPRGKRZSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
4-[3-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686884
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686756
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide (CID 95973495) is 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide is CN(C[C@@H]1CCOC1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The InChIKey is WNYGXQQEIBTZBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(9-12-6-7-18-10-12)14(17)8-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 95973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).