N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide

C18H18F3N3O2 — CID 90633279

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyDPBPGRWDYVFGGE-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.62
Rot. Bonds4

About N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide

N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide (PubChem CID 90633279) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
PubChem CID90633279
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyDPBPGRWDYVFGGE-UHFFFAOYSA-N
XLogP3.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide (CID 90633279) is N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide?
The InChIKey is DPBPGRWDYVFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-5,10-13H,6-9H2,(H,24,25).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide?
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90633279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).