3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

C19H23FN4O2 — CID 90634321

IUPAC3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C19H23FN4O2/c1-24(2)16-5-3-4-13(10-16)18(25)23-15-6-8-17(9-7-15)26-19-21-11-14(20)12-22-19/h3-5,10-12,15,17H,6-9H2,1-2H3,(H,23,25)
InChIKeyGHSOAGFCGQUNOY-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.80
Rot. Bonds5

About 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90634321) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90634321
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C19H23FN4O2/c1-24(2)16-5-3-4-13(10-16)18(25)23-15-6-8-17(9-7-15)26-19-21-11-14(20)12-22-19/h3-5,10-12,15,17H,6-9H2,1-2H3,(H,23,25)
InChIKeyGHSOAGFCGQUNOY-UHFFFAOYSA-N
XLogP2.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 167109293
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90634321) is 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is CN(C)c1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is GHSOAGFCGQUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-24(2)16-5-3-4-13(10-16)18(25)23-15-6-8-17(9-7-15)26-19-21-11-14(20)12-22-19/h3-5,10-12,15,17H,6-9H2,1-2H3,(H,23,25).
What are the key properties of 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 90634321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).