2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide

C15H18ClFN2O2 — CID 108566907

IUPAC2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c1-10(16)14(20)18-13-5-7-19(8-6-13)15(21)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,18,20)
InChIKeyXFGRWSOLWZGBEF-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.17
Rot. Bonds3

About 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108566907) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108566907
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c1-10(16)14(20)18-13-5-7-19(8-6-13)15(21)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,18,20)
InChIKeyXFGRWSOLWZGBEF-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.17
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-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide (CID 108566907) is 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is XFGRWSOLWZGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-10(16)14(20)18-13-5-7-19(8-6-13)15(21)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 312.77 g/mol, XLogP of 2.17, 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-(3-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).