(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide

C17H18ClNO3 — CID 11594891

IUPAC(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(17(20)19-2)22-16-8-6-15(7-9-16)21-11-13-4-3-5-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNEEQLBTXYYLYBS-GFCCVEGCSA-N
MW319.79 g/mol
LogP3.43
Rot. Bonds6

About (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide

(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide (PubChem CID 11594891) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
PubChem CID11594891
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(17(20)19-2)22-16-8-6-15(7-9-16)21-11-13-4-3-5-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNEEQLBTXYYLYBS-GFCCVEGCSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
(3-chlorophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984026
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide (CID 11594891) is (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide is CNC(=O)[C@@H](C)Oc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide?
The InChIKey is NEEQLBTXYYLYBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12(17(20)19-2)22-16-8-6-15(7-9-16)21-11-13-4-3-5-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide?
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 11594891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).