2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide

C16H19Cl2FN2O2 — CID 108563078

IUPAC2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19Cl2FN2O2/c17-8-2-5-14(22)21-9-6-11(7-10-21)20-16(23)15-12(18)3-1-4-13(15)19/h1,3-4,11H,2,5-10H2,(H,20,23)
InChIKeyPSDZVROEMABKDF-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide

2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide (PubChem CID 108563078) has the molecular formula C16H19Cl2FN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
PubChem CID108563078
Molecular FormulaC16H19Cl2FN2O2
Molecular Weight361.24 g/mol
Exact Mass360.08
IUPAC Name2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19Cl2FN2O2/c17-8-2-5-14(22)21-9-6-11(7-10-21)20-16(23)15-12(18)3-1-4-13(15)19/h1,3-4,11H,2,5-10H2,(H,20,23)
InChIKeyPSDZVROEMABKDF-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108558668
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide (CID 108563078) is 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide is O=C(NC1CCN(C(=O)CCCCl)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide?
The InChIKey is PSDZVROEMABKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2FN2O2/c17-8-2-5-14(22)21-9-6-11(7-10-21)20-16(23)15-12(18)3-1-4-13(15)19/h1,3-4,11H,2,5-10H2,(H,20,23).
What are the key properties of 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide?
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide has a molecular weight of 361.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide is sourced from PubChem (CID 108563078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).