5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

C16H22ClFN2O — CID 79702408

IUPAC5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-9-13(17)3-4-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3
InChIKeyOZZYOELYJCNBNO-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.33
Rot. Bonds4

About 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79702408) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID79702408
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-9-13(17)3-4-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3
InChIKeyOZZYOELYJCNBNO-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 79702408) is 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCNCC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is OZZYOELYJCNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-7-19-8-6-12)16(21)14-9-13(17)3-4-15(14)18/h3-4,9,11-12,19H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 312.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79702408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).