1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide

C18H25FN2O2 — CID 16673958

IUPAC1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(CN1CCOCC1)NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-14(13-21-9-11-23-12-10-21)20-17(22)18(7-8-18)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22)
InChIKeyHDSLIIVLRNUTRK-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 16673958) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID16673958
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(CN1CCOCC1)NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-14(13-21-9-11-23-12-10-21)20-17(22)18(7-8-18)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22)
InChIKeyHDSLIIVLRNUTRK-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide (CID 16673958) is 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide is CCC(CN1CCOCC1)NC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is HDSLIIVLRNUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-14(13-21-9-11-23-12-10-21)20-17(22)18(7-8-18)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,22).
What are the key properties of 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-morpholin-4-ylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 16673958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).