N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide

C19H16F3NO3 — CID 143092090

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESC=C/C=C\C(=C/C)NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C19H16F3NO3/c1-3-5-8-14(4-2)23-18(24)17-11-10-16(25-17)13-7-6-9-15(12-13)26-19(20,21)22/h3-12H,1H2,2H3,(H,23,24)/b8-5-,14-4+
InChIKeyLRUJWAPSYFKSRH-CQXJEZQLSA-N
MW363.34 g/mol
LogP5.22
Rot. Bonds6

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 143092090) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID143092090
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESC=C/C=C\C(=C/C)NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C19H16F3NO3/c1-3-5-8-14(4-2)23-18(24)17-11-10-16(25-17)13-7-6-9-15(12-13)26-19(20,21)22/h3-12H,1H2,2H3,(H,23,24)/b8-5-,14-4+
InChIKeyLRUJWAPSYFKSRH-CQXJEZQLSA-N
XLogP5.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-3-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-enoic acid
CID 170873415
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 142392043
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
methyl 3-[5-(trifluoromethoxy)-1-benzofuran-2-yl]benzoate
CID 172603109
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 143092090) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide is C=C/C=C\C(=C/C)NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is LRUJWAPSYFKSRH-CQXJEZQLSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-3-5-8-14(4-2)23-18(24)17-11-10-16(25-17)13-7-6-9-15(12-13)26-19(20,21)22/h3-12H,1H2,2H3,(H,23,24)/b8-5-,14-4+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 143092090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).