(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

C21H23ClN2O3 — CID 40796739

IUPAC(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H23ClN2O3/c1-15(27-19-12-6-4-10-17(19)22)20(25)23-18-11-5-3-9-16(18)21(26)24-13-7-2-8-14-24/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyZNQYFEYVZVIHAC-HNNXBMFYSA-N
MW386.88 g/mol
LogP4.37
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 40796739) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID40796739
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H23ClN2O3/c1-15(27-19-12-6-4-10-17(19)22)20(25)23-18-11-5-3-9-16(18)21(26)24-13-7-2-8-14-24/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyZNQYFEYVZVIHAC-HNNXBMFYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 2995669
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464
(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (CID 40796739) is (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZNQYFEYVZVIHAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15(27-19-12-6-4-10-17(19)22)20(25)23-18-11-5-3-9-16(18)21(26)24-13-7-2-8-14-24/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 386.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 40796739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).