(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide

C20H22ClNO4 — CID 9295727

IUPAC(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H22ClNO4/c1-14(26-19-7-3-2-6-18(19)21)20(23)22-15-8-10-16(11-9-15)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17-/m1/s1
InChIKeyIDOYLYYTJZOMGK-RHSMWYFYSA-N
MW375.85 g/mol
LogP4.30
Rot. Bonds7

About (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide (PubChem CID 9295727) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
PubChem CID9295727
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H22ClNO4/c1-14(26-19-7-3-2-6-18(19)21)20(23)22-15-8-10-16(11-9-15)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17-/m1/s1
InChIKeyIDOYLYYTJZOMGK-RHSMWYFYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43887864
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295896
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide (CID 9295727) is (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide is C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
The InChIKey is IDOYLYYTJZOMGK-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-14(26-19-7-3-2-6-18(19)21)20(23)22-15-8-10-16(11-9-15)25-13-17-5-4-12-24-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,22,23)/t14-,17-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide has a molecular weight of 375.85 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide is sourced from PubChem (CID 9295727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).