N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline

C23H25FN2O2 — CID 145078393

IUPACN-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline
SMILESO=C(CC1(O)CCCCC1)Nc1ccc(F)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C14H18FNO2.C9H7N/c15-11-4-6-12(7-5-11)16-13(17)10-14(18)8-2-1-3-9-14;1-2-6-9-8(4-1)5-3-7-10-9/h4-7,18H,1-3,8-10H2,(H,16,17);1-7H
InChIKeyNDYBGTPRESGZEP-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.08
Rot. Bonds3

About N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline

N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline (PubChem CID 145078393) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline
PubChem CID145078393
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline
SMILESO=C(CC1(O)CCCCC1)Nc1ccc(F)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C14H18FNO2.C9H7N/c15-11-4-6-12(7-5-11)16-13(17)10-14(18)8-2-1-3-9-14;1-2-6-9-8(4-1)5-3-7-10-9/h4-7,18H,1-3,8-10H2,(H,16,17);1-7H
InChIKeyNDYBGTPRESGZEP-UHFFFAOYSA-N
XLogP5.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline?
The IUPAC name of N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline (CID 145078393) is N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline is O=C(CC1(O)CCCCC1)Nc1ccc(F)cc1.c1ccc2ncccc2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline?
The InChIKey is NDYBGTPRESGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2.C9H7N/c15-11-4-6-12(7-5-11)16-13(17)10-14(18)8-2-1-3-9-14;1-2-6-9-8(4-1)5-3-7-10-9/h4-7,18H,1-3,8-10H2,(H,16,17);1-7H.
What are the key properties of N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline?
N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline has a molecular weight of 380.46 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline is sourced from PubChem (CID 145078393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).