N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide

C21H24ClFN2O3 — CID 2810689

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC
InChIInChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26)
InChIKeyFOOKSOTZDZCFMB-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.89
Rot. Bonds6

About N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 2810689) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID2810689
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC
InChIInChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26)
InChIKeyFOOKSOTZDZCFMB-UHFFFAOYSA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 44527557
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19393849
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide (CID 2810689) is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is FOOKSOTZDZCFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 406.89 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2810689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).