(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

C17H18ClNO4 — CID 2088418

IUPAC(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-7-4-12(18)5-8-14)17(20)19-13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyFSIYSZOPOUOKOV-LLVKDONJSA-N
MW335.79 g/mol
LogP3.76
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 2088418) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID2088418
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-7-4-12(18)5-8-14)17(20)19-13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyFSIYSZOPOUOKOV-LLVKDONJSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 108879704
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (CID 2088418) is (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is FSIYSZOPOUOKOV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-11(23-14-7-4-12(18)5-8-14)17(20)19-13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2088418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).