4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C18H23ClFN3O2 — CID 91910199

IUPAC4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(F)cc3Cl)C2)CC1
InChIInChI=1S/C18H23ClFN3O2/c1-21-18(25)22-7-4-12(5-8-22)13-6-9-23(11-13)17(24)15-3-2-14(20)10-16(15)19/h2-3,10,12-13H,4-9,11H2,1H3,(H,21,25)
InChIKeyGHAXCHCQWBVSPD-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.99
Rot. Bonds2

About 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910199) has the molecular formula C18H23ClFN3O2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910199
Molecular FormulaC18H23ClFN3O2
Molecular Weight367.85 g/mol
Exact Mass367.15
IUPAC Name4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(F)cc3Cl)C2)CC1
InChIInChI=1S/C18H23ClFN3O2/c1-21-18(25)22-7-4-12(5-8-22)13-6-9-23(11-13)17(24)15-3-2-14(20)10-16(15)19/h2-3,10,12-13H,4-9,11H2,1H3,(H,21,25)
InChIKeyGHAXCHCQWBVSPD-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
methyl 2-[(3R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982058
(2-chloro-4-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638995
4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910191
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910199) is 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3ccc(F)cc3Cl)C2)CC1.
What is the InChIKey of 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is GHAXCHCQWBVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O2/c1-21-18(25)22-7-4-12(5-8-22)13-6-9-23(11-13)17(24)15-3-2-14(20)10-16(15)19/h2-3,10,12-13H,4-9,11H2,1H3,(H,21,25).
What are the key properties of 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 367.85 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).