2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide

C16H20ClF3N2O2 — CID 90650438

IUPAC2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CCO)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O2/c17-14-2-1-12(16(18,19)20)9-13(14)15(24)21-10-11-3-5-22(6-4-11)7-8-23/h1-2,9,11,23H,3-8,10H2,(H,21,24)
InChIKeyCQLFEZUFDORLRZ-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 90650438) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID90650438
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC Name2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CCO)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O2/c17-14-2-1-12(16(18,19)20)9-13(14)15(24)21-10-11-3-5-22(6-4-11)7-8-23/h1-2,9,11,23H,3-8,10H2,(H,21,24)
InChIKeyCQLFEZUFDORLRZ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
CID 143467098
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
6-amino-5-chloro-2-oxo-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 22262678
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-amino-N-[2-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 508878
2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide;methylcyclopropane;1-methylsulfanylpropane
CID 143467097
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
[3-(aminomethyl)pyrrolidin-1-yl]-[2-chloro-5-(trifluoromethyl)phenyl]methanone
CID 91795185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide (CID 90650438) is 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide is O=C(NCC1CCN(CCO)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is CQLFEZUFDORLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O2/c17-14-2-1-12(16(18,19)20)9-13(14)15(24)21-10-11-3-5-22(6-4-11)7-8-23/h1-2,9,11,23H,3-8,10H2,(H,21,24).
What are the key properties of 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 364.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90650438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).