1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide

C16H21ClFN3O2 — CID 24589415

IUPAC1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-19-16(23)11-4-7-21(8-5-11)9-6-15(22)20-14-3-2-12(17)10-13(14)18/h2-3,10-11H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyQYSVCJQJFPQWSW-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide

1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24589415) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
PubChem CID24589415
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-19-16(23)11-4-7-21(8-5-11)9-6-15(22)20-14-3-2-12(17)10-13(14)18/h2-3,10-11H,4-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyQYSVCJQJFPQWSW-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30721853
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030998
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30741234
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78830176
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide (CID 24589415) is 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QYSVCJQJFPQWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-19-16(23)11-4-7-21(8-5-11)9-6-15(22)20-14-3-2-12(17)10-13(14)18/h2-3,10-11H,4-9H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide?
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 341.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24589415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).