2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide

C18H24Cl2N2O3 — CID 108565024

IUPAC2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1cc(OCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc(C)c1Cl
InChIInChI=1S/C18H24Cl2N2O3/c1-11-8-15(9-12(2)17(11)20)25-10-16(23)22-6-4-14(5-7-22)21-18(24)13(3)19/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,24)
InChIKeyCZHQDXVJGOXCMJ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.07
Rot. Bonds5

About 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide

2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide (PubChem CID 108565024) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
PubChem CID108565024
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Name2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1cc(OCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc(C)c1Cl
InChIInChI=1S/C18H24Cl2N2O3/c1-11-8-15(9-12(2)17(11)20)25-10-16(23)22-6-4-14(5-7-22)21-18(24)13(3)19/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,24)
InChIKeyCZHQDXVJGOXCMJ-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
methyl 1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 94870315
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556384
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
CID 108565003
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108535690
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39405856
2-(4-chloro-3,5-dimethylphenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 108754234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide (CID 108565024) is 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide is Cc1cc(OCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The InChIKey is CZHQDXVJGOXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c1-11-8-15(9-12(2)17(11)20)25-10-16(23)22-6-4-14(5-7-22)21-18(24)13(3)19/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,24).
What are the key properties of 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide has a molecular weight of 387.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108565024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).