1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide

C14H19FN2O2 — CID 106872870

IUPAC1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCCC1(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C14H19FN2O2/c1-19-12-4-2-3-9-14(12,13(16)18)17-11-7-5-10(15)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyGZVSFCZARWIHMC-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.05
Rot. Bonds4

About 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide

1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide (PubChem CID 106872870) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide
PubChem CID106872870
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCCC1(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C14H19FN2O2/c1-19-12-4-2-3-9-14(12,13(16)18)17-11-7-5-10(15)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyGZVSFCZARWIHMC-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide (CID 106872870) is 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide is COC1CCCCC1(Nc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide?
The InChIKey is GZVSFCZARWIHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-12-4-2-3-9-14(12,13(16)18)17-11-7-5-10(15)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H2,16,18).
What are the key properties of 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide?
1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 106872870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).