2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

C23H26Cl2N2O3 — CID 108554600

IUPAC2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-16-5-2-3-6-21(16)30-14-4-7-22(28)27-12-10-18(11-13-27)26-23(29)19-15-17(24)8-9-20(19)25/h2-3,5-6,8-9,15,18H,4,7,10-14H2,1H3,(H,26,29)
InChIKeyMGNBOCCOUBCVNM-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.88
Rot. Bonds7

About 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108554600) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108554600
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-16-5-2-3-6-21(16)30-14-4-7-22(28)27-12-10-18(11-13-27)26-23(29)19-15-17(24)8-9-20(19)25/h2-3,5-6,8-9,15,18H,4,7,10-14H2,1H3,(H,26,29)
InChIKeyMGNBOCCOUBCVNM-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 55716722
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108554600) is 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is Cc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is MGNBOCCOUBCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-16-5-2-3-6-21(16)30-14-4-7-22(28)27-12-10-18(11-13-27)26-23(29)19-15-17(24)8-9-20(19)25/h2-3,5-6,8-9,15,18H,4,7,10-14H2,1H3,(H,26,29).
What are the key properties of 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 449.38 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108554600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).