3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide

C15H18ClFN2O2 — CID 146616862

IUPAC3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
SMILESO=CCN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(8-14(17)9-13)15(21)18-10-11-1-3-19(4-2-11)5-6-20/h6-9,11H,1-5,10H2,(H,18,21)
InChIKeyNZPCAFMPWWFSPP-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.12
Rot. Bonds5

About 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide

3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 146616862) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
PubChem CID146616862
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
SMILESO=CCN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(8-14(17)9-13)15(21)18-10-11-1-3-19(4-2-11)5-6-20/h6-9,11H,1-5,10H2,(H,18,21)
InChIKeyNZPCAFMPWWFSPP-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
CID 170152788
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170152724
3-chloro-5-fluoro-N-[[1-[1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methyl]benzamide
CID 89433480
3-chloro-5-fluoro-N-[[(5S)-8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide
CID 144968662
3-chloro-N-[[4-[[2-(2,2-dimethylpyrrolidin-1-yl)-2-oxoethyl]amino]cyclohexyl]methyl]-5-fluorobenzamide
CID 44539915
N-[[1-[2-(tert-butylamino)-2-oxoethyl]-2,2,6,6-tetradeuteriopiperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170676046
3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
CID 134423011
N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 44540506
3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
CID 69300379
CID 163296590
CID 163296590
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 71517047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide (CID 146616862) is 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide is O=CCN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is NZPCAFMPWWFSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-13-7-12(8-14(17)9-13)15(21)18-10-11-1-3-19(4-2-11)5-6-20/h6-9,11H,1-5,10H2,(H,18,21).
What are the key properties of 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 312.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 146616862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).