4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide

C25H27FN2O3 — CID 110232975

IUPAC4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CC2)CCO1
InChIInChI=1S/C25H27FN2O3/c1-2-13-27-24(30)25(17-28(14-15-31-25)23(29)19-7-8-19)16-20-5-3-4-6-22(20)18-9-11-21(26)12-10-18/h2-6,9-12,19H,1,7-8,13-17H2,(H,27,30)
InChIKeyWPPFLTSLPDSQGS-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.35
Rot. Bonds7

About 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide

4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide (PubChem CID 110232975) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide
PubChem CID110232975
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CC2)CCO1
InChIInChI=1S/C25H27FN2O3/c1-2-13-27-24(30)25(17-28(14-15-31-25)23(29)19-7-8-19)16-20-5-3-4-6-22(20)18-9-11-21(26)12-10-18/h2-6,9-12,19H,1,7-8,13-17H2,(H,27,30)
InChIKeyWPPFLTSLPDSQGS-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
CID 110232981
(2S)-4-(cyclohexanecarbonyl)-N-prop-2-enyl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92548678
(2R)-4-(cyclohexanecarbonyl)-N-methyl-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610069
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
(3R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548537
2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
CID 110232963
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
(2S)-N-prop-2-enyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849155
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide (CID 110232975) is 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide is C=CCNC(=O)C1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CC2)CCO1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The InChIKey is WPPFLTSLPDSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-2-13-27-24(30)25(17-28(14-15-31-25)23(29)19-7-8-19)16-20-5-3-4-6-22(20)18-9-11-21(26)12-10-18/h2-6,9-12,19H,1,7-8,13-17H2,(H,27,30).
What are the key properties of 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide?
4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide is sourced from PubChem (CID 110232975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).