2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C23H27ClN2O3 — CID 4939290

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc(C)c1Cl
InChIInChI=1S/C23H27ClN2O3/c1-15-8-10-26(11-9-15)23(28)19-6-4-5-7-20(19)25-21(27)14-29-18-12-16(2)22(24)17(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,27)
InChIKeyLHKOHPXVQVGRFO-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4939290) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID4939290
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc(C)c1Cl
InChIInChI=1S/C23H27ClN2O3/c1-15-8-10-26(11-9-15)23(28)19-6-4-5-7-20(19)25-21(27)14-29-18-12-16(2)22(24)17(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,27)
InChIKeyLHKOHPXVQVGRFO-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939411
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4960724
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 7126525

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 4939290) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is LHKOHPXVQVGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-15-8-10-26(11-9-15)23(28)19-6-4-5-7-20(19)25-21(27)14-29-18-12-16(2)22(24)17(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4939290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).