5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C18H18ClF3N4O2 — CID 91809991

IUPAC5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18ClF3N4O2/c1-28-14-3-2-11(19)8-13(14)17(27)25-12-4-6-26(7-5-12)16-9-15(18(20,21)22)23-10-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,25,27)
InChIKeyDXMURFXROIHGSX-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.56
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91809991) has the molecular formula C18H18ClF3N4O2 and a molecular weight of 414.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91809991
Molecular FormulaC18H18ClF3N4O2
Molecular Weight414.82 g/mol
Exact Mass414.11
IUPAC Name5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18ClF3N4O2/c1-28-14-3-2-11(19)8-13(14)17(27)25-12-4-6-26(7-5-12)16-9-15(18(20,21)22)23-10-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,25,27)
InChIKeyDXMURFXROIHGSX-UHFFFAOYSA-N
XLogP3.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
5-methyl-1-phenyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 121019478
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 91631398
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91809991) is 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is DXMURFXROIHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O2/c1-28-14-3-2-11(19)8-13(14)17(27)25-12-4-6-26(7-5-12)16-9-15(18(20,21)22)23-10-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,25,27).
What are the key properties of 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 414.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91809991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).