4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide

C14H18ClFN2O — CID 107990343

IUPAC4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c15-12-4-3-11(8-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyOWDRPRMSKGBYRZ-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide

4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 107990343) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID107990343
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c15-12-4-3-11(8-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyOWDRPRMSKGBYRZ-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide (CID 107990343) is 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is OWDRPRMSKGBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-12-4-3-11(8-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide?
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 284.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 107990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).