2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide

C15H17Cl2FN2O2 — CID 108567332

IUPAC2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2FN2O2/c1-9(16)14(21)19-10-5-7-20(8-6-10)15(22)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H,19,21)
InChIKeyOCSWKEQDTXYZCI-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108567332) has the molecular formula C15H17Cl2FN2O2 and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108567332
Molecular FormulaC15H17Cl2FN2O2
Molecular Weight347.22 g/mol
Exact Mass346.07
IUPAC Name2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2FN2O2/c1-9(16)14(21)19-10-5-7-20(8-6-10)15(22)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H,19,21)
InChIKeyOCSWKEQDTXYZCI-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002767
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide (CID 108567332) is 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is OCSWKEQDTXYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2FN2O2/c1-9(16)14(21)19-10-5-7-20(8-6-10)15(22)13-11(17)3-2-4-12(13)18/h2-4,9-10H,5-8H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 347.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108567332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).