3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide

C19H17ClF2N2O2 — CID 108559879

IUPAC3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClF2N2O2/c20-13-3-1-2-12(10-13)18(25)23-15-6-8-24(9-7-15)19(26)16-5-4-14(21)11-17(16)22/h1-5,10-11,15H,6-9H2,(H,23,25)
InChIKeyLNBRZZNVDDJUDN-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide

3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide (PubChem CID 108559879) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
PubChem CID108559879
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClF2N2O2/c20-13-3-1-2-12(10-13)18(25)23-15-6-8-24(9-7-15)19(26)16-5-4-14(21)11-17(16)22/h1-5,10-11,15H,6-9H2,(H,23,25)
InChIKeyLNBRZZNVDDJUDN-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide (CID 108559879) is 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide?
The InChIKey is LNBRZZNVDDJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-13-3-1-2-12(10-13)18(25)23-15-6-8-24(9-7-15)19(26)16-5-4-14(21)11-17(16)22/h1-5,10-11,15H,6-9H2,(H,23,25).
What are the key properties of 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide?
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide has a molecular weight of 378.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108559879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).