3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

C18H17F3N2O3 — CID 1280315

IUPAC3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-3-5-16(23-7-10-25-11-8-23)15(12-13)22-17(24)6-4-14-2-1-9-26-14/h1-6,9,12H,7-8,10-11H2,(H,22,24)
InChIKeyZAJGXLBTFBRRBS-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.79
Rot. Bonds4

About 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 1280315) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID1280315
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-3-5-16(23-7-10-25-11-8-23)15(12-13)22-17(24)6-4-14-2-1-9-26-14/h1-6,9,12H,7-8,10-11H2,(H,22,24)
InChIKeyZAJGXLBTFBRRBS-UHFFFAOYSA-N
XLogP3.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6124008
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3569750
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7406865
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 72687765
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
(Z)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide
CID 155258550
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 851473
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 1280315) is 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZAJGXLBTFBRRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-3-5-16(23-7-10-25-11-8-23)15(12-13)22-17(24)6-4-14-2-1-9-26-14/h1-6,9,12H,7-8,10-11H2,(H,22,24).
What are the key properties of 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 366.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).