N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide

C21H19F3N2O2 — CID 42763489

IUPACN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)c1ccco1
InChIInChI=1S/C21H19F3N2O2/c1-2-10-26(20(27)19-9-5-12-28-19)15-18-8-4-11-25(18)14-16-6-3-7-17(13-16)21(22,23)24/h2-9,11-13H,1,10,14-15H2
InChIKeyPEKDPAITGYCOFI-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.98
Rot. Bonds7

About N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide

N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide (PubChem CID 42763489) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
PubChem CID42763489
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)c1ccco1
InChIInChI=1S/C21H19F3N2O2/c1-2-10-26(20(27)19-9-5-12-28-19)15-18-8-4-11-25(18)14-16-6-3-7-17(13-16)21(22,23)24/h2-9,11-13H,1,10,14-15H2
InChIKeyPEKDPAITGYCOFI-UHFFFAOYSA-N
XLogP4.98
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3537509
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CID 4288129
2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 7287746
N-prop-2-enyl-2-thiophen-2-yl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]acetamide
CID 5171493
N-ethyl-N-[2-oxo-2-[pentyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]ethyl]furan-2-carboxamide
CID 4020015
N-[2-[benzyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 42767690
3-(4-methoxyphenyl)-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 4202857
(2R)-3-methyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]butan-2-amine
CID 7207186
N-[(3-fluorophenyl)methyl]-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 7271677
5-[[2-[[furan-2-carbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 5107289
1-benzyl-3-ethyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 3651212
N-benzyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide (CID 42763489) is N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide is C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)c1ccco1.
What is the InChIKey of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is PEKDPAITGYCOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-2-10-26(20(27)19-9-5-12-28-19)15-18-8-4-11-25(18)14-16-6-3-7-17(13-16)21(22,23)24/h2-9,11-13H,1,10,14-15H2.
What are the key properties of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42763489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).