1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

C21H24ClFN2O — CID 53284671

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1C
InChIInChI=1S/C21H24ClFN2O/c1-14-5-3-8-20(15(14)2)24-21(26)16-9-11-25(12-10-16)13-17-18(22)6-4-7-19(17)23/h3-8,16H,9-13H2,1-2H3,(H,24,26)
InChIKeySBGMIWWRXBROMI-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.95
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 53284671) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
PubChem CID53284671
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1C
InChIInChI=1S/C21H24ClFN2O/c1-14-5-3-8-20(15(14)2)24-21(26)16-9-11-25(12-10-16)13-17-18(22)6-4-7-19(17)23/h3-8,16H,9-13H2,1-2H3,(H,24,26)
InChIKeySBGMIWWRXBROMI-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45020578
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 100684267
1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45007066
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (CID 53284671) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1C.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is SBGMIWWRXBROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-14-5-3-8-20(15(14)2)24-21(26)16-9-11-25(12-10-16)13-17-18(22)6-4-7-19(17)23/h3-8,16H,9-13H2,1-2H3,(H,24,26).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53284671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).