3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C25H27FN2O3 — CID 24516679

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN2O3/c1-27(18-19-6-8-20(9-7-19)28-14-16-30-17-15-28)25(29)13-11-21-10-12-24(31-21)22-4-2-3-5-23(22)26/h2-10,12H,11,13-18H2,1H3
InChIKeyZMXRGOOLCLUIDO-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.51
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 24516679) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID24516679
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN2O3/c1-27(18-19-6-8-20(9-7-19)28-14-16-30-17-15-28)25(29)13-11-21-10-12-24(31-21)22-4-2-3-5-23(22)26/h2-10,12H,11,13-18H2,1H3
InChIKeyZMXRGOOLCLUIDO-UHFFFAOYSA-N
XLogP4.51
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487313
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27801052
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27794966
N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 40891377

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 24516679) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is ZMXRGOOLCLUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-27(18-19-6-8-20(9-7-19)28-14-16-30-17-15-28)25(29)13-11-21-10-12-24(31-21)22-4-2-3-5-23(22)26/h2-10,12H,11,13-18H2,1H3.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 24516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).