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

C14H18ClFN2O — CID 63637963

IUPAC5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)C1CCCNC1
InChIInChI=1S/C14H18ClFN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyHJMKANWPJREDHT-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.69
Rot. Bonds3

About 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide

5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide (PubChem CID 63637963) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
PubChem CID63637963
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)C1CCCNC1
InChIInChI=1S/C14H18ClFN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyHJMKANWPJREDHT-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

2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82771645
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide (CID 63637963) is 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide is CCN(C(=O)c1cc(Cl)ccc1F)C1CCCNC1.
What is the InChIKey of 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide?
The InChIKey is HJMKANWPJREDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide?
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-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 5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63637963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).