N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide

C20H19Cl2FN2O3 — CID 108559370

IUPACN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19Cl2FN2O3/c1-28-18-16(22)7-6-15(21)17(18)20(27)25-10-8-14(9-11-25)24-19(26)12-2-4-13(23)5-3-12/h2-7,14H,8-11H2,1H3,(H,24,26)
InChIKeyOTSOCODXGKCWSI-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 108559370) has the molecular formula C20H19Cl2FN2O3 and a molecular weight of 425.29 g/mol. Its IUPAC name is N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID108559370
Molecular FormulaC20H19Cl2FN2O3
Molecular Weight425.29 g/mol
Exact Mass424.08
IUPAC NameN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19Cl2FN2O3/c1-28-18-16(22)7-6-15(21)17(18)20(27)25-10-8-14(9-11-25)24-19(26)12-2-4-13(23)5-3-12/h2-7,14H,8-11H2,1H3,(H,24,26)
InChIKeyOTSOCODXGKCWSI-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108561553
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108561636
3,6-dichloro-2-methoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108566391
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 46592936
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide (CID 108559370) is N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide is COc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is OTSOCODXGKCWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O3/c1-28-18-16(22)7-6-15(21)17(18)20(27)25-10-8-14(9-11-25)24-19(26)12-2-4-13(23)5-3-12/h2-7,14H,8-11H2,1H3,(H,24,26).
What are the key properties of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 425.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 108559370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).