2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C16H22F2N2O — CID 106625849

IUPAC2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeySJAQUUGIGZUXBZ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.96
Rot. Bonds5

About 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide

2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 106625849) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID106625849
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeySJAQUUGIGZUXBZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 106625849) is 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is SJAQUUGIGZUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106625849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).