5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide

C15H11ClF3NO2 — CID 6491179

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C15H11ClF3NO2/c1-2-7-20-14(21)13-6-5-12(22-13)10-8-9(15(17,18)19)3-4-11(10)16/h2-6,8H,1,7H2,(H,20,21)
InChIKeyUDTHPBFRDQAIOI-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.53
Rot. Bonds4

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 6491179) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID6491179
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C15H11ClF3NO2/c1-2-7-20-14(21)13-6-5-12(22-13)10-8-9(15(17,18)19)3-4-11(10)16/h2-6,8H,1,7H2,(H,20,21)
InChIKeyUDTHPBFRDQAIOI-UHFFFAOYSA-N
XLogP4.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-prop-2-enylprop-2-enamide
CID 6531373
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3516344
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(1H-indazol-6-yl)phenyl]furan-2-carboxamide
CID 141265502
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18180318
N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39890738
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444003
(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 39735195

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide (CID 6491179) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide is C=CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is UDTHPBFRDQAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-2-7-20-14(21)13-6-5-12(22-13)10-8-9(15(17,18)19)3-4-11(10)16/h2-6,8H,1,7H2,(H,20,21).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 329.71 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 6491179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).