1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C19H17Cl2FN2O2 — CID 113008225

IUPAC1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2FN2O2/c20-16-5-4-13(10-17(16)21)19(26)24-8-6-12(7-9-24)18(25)23-15-3-1-2-14(22)11-15/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyLKPJFVDYQJDLBO-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.62
Rot. Bonds3

About 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 113008225) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID113008225
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2FN2O2/c20-16-5-4-13(10-17(16)21)19(26)24-8-6-12(7-9-24)18(25)23-15-3-1-2-14(22)11-15/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyLKPJFVDYQJDLBO-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55955366
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020364
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 113008225) is 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is LKPJFVDYQJDLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c20-16-5-4-13(10-17(16)21)19(26)24-8-6-12(7-9-24)18(25)23-15-3-1-2-14(22)11-15/h1-5,10-12H,6-9H2,(H,23,25).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).