(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide

C15H19ClFNO3 — CID 96533309

IUPAC(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1
InChIInChI=1S/C15H19ClFNO3/c1-10(21-14-5-4-11(17)9-13(14)16)15(19)18-7-6-12-3-2-8-20-12/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,19)/t10-,12+/m1/s1
InChIKeyBFVHEKFYLTUQHC-PWSUYJOCSA-N
MW315.77 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide

(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 96533309) has the molecular formula C15H19ClFNO3 and a molecular weight of 315.77 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID96533309
Molecular FormulaC15H19ClFNO3
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1
InChIInChI=1S/C15H19ClFNO3/c1-10(21-14-5-4-11(17)9-13(14)16)15(19)18-7-6-12-3-2-8-20-12/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,19)/t10-,12+/m1/s1
InChIKeyBFVHEKFYLTUQHC-PWSUYJOCSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
1-[[(2R)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 2204781
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 96533309) is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide is C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is BFVHEKFYLTUQHC-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19ClFNO3/c1-10(21-14-5-4-11(17)9-13(14)16)15(19)18-7-6-12-3-2-8-20-12/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,19)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide?
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 315.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 96533309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).