(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide

C22H20ClNO3 — CID 28576952

IUPAC(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-2-21(27-20-10-6-7-16(23)15-20)22(25)24-17-11-13-19(14-12-17)26-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyPKOBUODQOPBWNG-OAQYLSRUSA-N
MW381.86 g/mol
LogP5.93
Rot. Bonds7

About (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide

(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide (PubChem CID 28576952) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
PubChem CID28576952
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-2-21(27-20-10-6-7-16(23)15-20)22(25)24-17-11-13-19(14-12-17)26-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyPKOBUODQOPBWNG-OAQYLSRUSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
butyl 4-[[(2S)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28567491
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide (CID 28576952) is (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide?
The InChIKey is PKOBUODQOPBWNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-2-21(27-20-10-6-7-16(23)15-20)22(25)24-17-11-13-19(14-12-17)26-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide?
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide has a molecular weight of 381.86 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 28576952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).