2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

C22H25ClN2O3 — CID 2995669

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O3/c1-15-14-17(10-11-19(15)23)28-16(2)21(26)24-20-9-5-4-8-18(20)22(27)25-12-6-3-7-13-25/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeySULAVGUDWCRXAZ-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 2995669) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID2995669
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O3/c1-15-14-17(10-11-19(15)23)28-16(2)21(26)24-20-9-5-4-8-18(20)22(27)25-12-6-3-7-13-25/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeySULAVGUDWCRXAZ-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 99133130
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (CID 2995669) is 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is Cc1cc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is SULAVGUDWCRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-14-17(10-11-19(15)23)28-16(2)21(26)24-20-9-5-4-8-18(20)22(27)25-12-6-3-7-13-25/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 400.91 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 2995669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).