2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

C16H22F2N2O — CID 79702095

IUPAC2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3
InChIKeyRLCPSJCGVHTZTG-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.82
Rot. Bonds4

About 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79702095) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID79702095
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3
InChIKeyRLCPSJCGVHTZTG-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
5-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 104786254
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 79702095) is 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCNCC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is RLCPSJCGVHTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-4-3-13(17)9-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3.
What are the key properties of 2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.82, 4 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-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79702095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).