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

C19H22FN3O2 — CID 91626381

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c20-15-12-21-19(22-13-15)25-17-9-7-16(8-10-17)23-18(24)11-6-14-4-2-1-3-5-14/h1-5,12-13,16-17H,6-11H2,(H,23,24)
InChIKeyNRSRDMWSNUDZHB-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.05
Rot. Bonds6

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide (PubChem CID 91626381) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
PubChem CID91626381
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c20-15-12-21-19(22-13-15)25-17-9-7-16(8-10-17)23-18(24)11-6-14-4-2-1-3-5-14/h1-5,12-13,16-17H,6-11H2,(H,23,24)
InChIKeyNRSRDMWSNUDZHB-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
CID 91626361
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide (CID 91626381) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The InChIKey is NRSRDMWSNUDZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-12-21-19(22-13-15)25-17-9-7-16(8-10-17)23-18(24)11-6-14-4-2-1-3-5-14/h1-5,12-13,16-17H,6-11H2,(H,23,24).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 91626381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).