1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide

C27H27FN2O3 — CID 164531856

IUPAC1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C1(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN2O3/c28-23-7-11-25(12-8-23)33-27(13-14-27)26(31)29-24-9-5-22(6-10-24)21-3-1-20(2-4-21)19-30-15-17-32-18-16-30/h1-12H,13-19H2,(H,29,31)
InChIKeyHXGBKWSITQASOW-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.88
Rot. Bonds7

About 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide

1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 164531856) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID164531856
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C1(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN2O3/c28-23-7-11-25(12-8-23)33-27(13-14-27)26(31)29-24-9-5-22(6-10-24)21-3-1-20(2-4-21)19-30-15-17-32-18-16-30/h1-12H,13-19H2,(H,29,31)
InChIKeyHXGBKWSITQASOW-UHFFFAOYSA-N
XLogP4.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2-(2,4-difluorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629949
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-(2,4-difluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8771186
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
CID 70868401
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide (CID 164531856) is 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C1(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is HXGBKWSITQASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c28-23-7-11-25(12-8-23)33-27(13-14-27)26(31)29-24-9-5-22(6-10-24)21-3-1-20(2-4-21)19-30-15-17-32-18-16-30/h1-12H,13-19H2,(H,29,31).
What are the key properties of 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164531856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).