2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide

C16H20ClF3N2O2 — CID 131920436

IUPAC2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCCCC1CO)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O2/c17-14-5-4-11(16(18,19)20)9-13(14)15(24)21-6-8-22-7-2-1-3-12(22)10-23/h4-5,9,12,23H,1-3,6-8,10H2,(H,21,24)
InChIKeySDBNAQRJTVOZCI-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 131920436) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
PubChem CID131920436
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCCCC1CO)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O2/c17-14-5-4-11(16(18,19)20)9-13(14)15(24)21-6-8-22-7-2-1-3-12(22)10-23/h4-5,9,12,23H,1-3,6-8,10H2,(H,21,24)
InChIKeySDBNAQRJTVOZCI-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 90650438
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43896302
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 119074698
2-chloro-N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 122570554
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide (CID 131920436) is 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide is O=C(NCCN1CCCCC1CO)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is SDBNAQRJTVOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c17-14-5-4-11(16(18,19)20)9-13(14)15(24)21-6-8-22-7-2-1-3-12(22)10-23/h4-5,9,12,23H,1-3,6-8,10H2,(H,21,24).
What are the key properties of 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 364.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 131920436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).