3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide

C14H18ClFN2O — CID 81264812

IUPAC3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C14H18ClFN2O/c1-2-18(10-6-8-17-9-7-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3
InChIKeyRRUPQXVVSAIQMN-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide

3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide (PubChem CID 81264812) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
PubChem CID81264812
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C14H18ClFN2O/c1-2-18(10-6-8-17-9-7-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3
InChIKeyRRUPQXVVSAIQMN-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642
N-ethyl-2,6-dihydroxy-N-piperidin-4-ylbenzamide
CID 107688542

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide (CID 81264812) is 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide is CCN(C(=O)c1cccc(Cl)c1F)C1CCNCC1.
What is the InChIKey of 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The InChIKey is RRUPQXVVSAIQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-18(10-6-8-17-9-7-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3.
What are the key properties of 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide has a molecular weight of 284.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 81264812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).