N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide

C19H18ClFN2O2 — CID 18587474

IUPACN-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(c1c(F)cccc1Cl)N(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H18ClFN2O2/c20-15-10-7-11-16(21)17(15)18(24)23(14-8-3-1-4-9-14)19(25)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-13H2
InChIKeyQCYYZYAOBGFBJY-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.73
Rot. Bonds2

About N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide

N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 18587474) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide
PubChem CID18587474
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(c1c(F)cccc1Cl)N(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H18ClFN2O2/c20-15-10-7-11-16(21)17(15)18(24)23(14-8-3-1-4-9-14)19(25)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-13H2
InChIKeyQCYYZYAOBGFBJY-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide (CID 18587474) is N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide is O=C(c1c(F)cccc1Cl)N(C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is QCYYZYAOBGFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-15-10-7-11-16(21)17(15)18(24)23(14-8-3-1-4-9-14)19(25)22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-13H2.
What are the key properties of N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide?
N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorobenzoyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 18587474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).