1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C19H18ClFN2O2 — CID 1327783

IUPAC1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18ClFN2O2/c20-17-7-2-1-6-16(17)19(25)23-10-8-13(9-11-23)18(24)22-15-5-3-4-14(21)12-15/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyXBGMTNCCWPNRMO-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 1327783) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID1327783
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18ClFN2O2/c20-17-7-2-1-6-16(17)19(25)23-10-8-13(9-11-23)18(24)22-15-5-3-4-14(21)12-15/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyXBGMTNCCWPNRMO-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 1327783) is 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is XBGMTNCCWPNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-17-7-2-1-6-16(17)19(25)23-10-8-13(9-11-23)18(24)22-15-5-3-4-14(21)12-15/h1-7,12-13H,8-11H2,(H,22,24).
What are the key properties of 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).