N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide

C22H20ClFN2O3 — CID 46592936

IUPACN-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCc1c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C22H20ClFN2O3/c1-13-17-3-2-4-18(23)20(17)29-19(13)22(28)26-11-9-16(10-12-26)25-21(27)14-5-7-15(24)8-6-14/h2-8,16H,9-12H2,1H3,(H,25,27)
InChIKeyRLFQXHZPXQOJKW-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.57
Rot. Bonds3

About N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 46592936) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID46592936
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC NameN-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCc1c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C22H20ClFN2O3/c1-13-17-3-2-4-18(23)20(17)29-19(13)22(28)26-11-9-16(10-12-26)25-21(27)14-5-7-15(24)8-6-14/h2-8,16H,9-12H2,1H3,(H,25,27)
InChIKeyRLFQXHZPXQOJKW-UHFFFAOYSA-N
XLogP4.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
CID 3218714
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide (CID 46592936) is N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide is Cc1c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)oc2c(Cl)cccc12.
What is the InChIKey of N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is RLFQXHZPXQOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c1-13-17-3-2-4-18(23)20(17)29-19(13)22(28)26-11-9-16(10-12-26)25-21(27)14-5-7-15(24)8-6-14/h2-8,16H,9-12H2,1H3,(H,25,27).
What are the key properties of N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 414.86 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 46592936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).