(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

C22H25ClN2O4 — CID 99133130

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25ClN2O4/c1-3-20(29-16-8-9-18(23)15(2)14-16)21(26)24-19-7-5-4-6-17(19)22(27)25-10-12-28-13-11-25/h4-9,14,20H,3,10-13H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyFRJMEVXTKROQOA-HXUWFJFHSA-N
MW416.91 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 99133130) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID99133130
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25ClN2O4/c1-3-20(29-16-8-9-18(23)15(2)14-16)21(26)24-19-7-5-4-6-17(19)22(27)25-10-12-28-13-11-25/h4-9,14,20H,3,10-13H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyFRJMEVXTKROQOA-HXUWFJFHSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 40742401
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 2995669
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (CID 99133130) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is FRJMEVXTKROQOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-3-20(29-16-8-9-18(23)15(2)14-16)21(26)24-19-7-5-4-6-17(19)22(27)25-10-12-28-13-11-25/h4-9,14,20H,3,10-13H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 416.91 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 99133130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).