(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide

C18H20ClNO3 — CID 94019358

IUPAC(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-15-9-6-8-14(11-15)22-2)18(21)20-12-13-7-4-5-10-16(13)19/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyJDBSIOWAUOUHRR-QGZVFWFLSA-N
MW333.81 g/mol
LogP3.82
Rot. Bonds7

About (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide

(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 94019358) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID94019358
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-15-9-6-8-14(11-15)22-2)18(21)20-12-13-7-4-5-10-16(13)19/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyJDBSIOWAUOUHRR-QGZVFWFLSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide (CID 94019358) is (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is JDBSIOWAUOUHRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-17(23-15-9-6-8-14(11-15)22-2)18(21)20-12-13-7-4-5-10-16(13)19/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 333.81 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 94019358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).