N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide

C18H12F3NO4 — CID 2795636

IUPACN-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)25-13-5-3-12(4-6-13)22-17(23)16-2-1-11-24-16/h1-11H,(H,22,23)
InChIKeyFTDIMBZNNZDAQH-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.22
Rot. Bonds5

About N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide

N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide (PubChem CID 2795636) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide
PubChem CID2795636
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC NameN-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)25-13-5-3-12(4-6-13)22-17(23)16-2-1-11-24-16/h1-11H,(H,22,23)
InChIKeyFTDIMBZNNZDAQH-UHFFFAOYSA-N
XLogP5.22
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
Arylaminoethyl amide deriv. 17
CID 11419952
8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 306227
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
5-methyl-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 690634
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide (CID 2795636) is N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide?
The InChIKey is FTDIMBZNNZDAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)25-13-5-3-12(4-6-13)22-17(23)16-2-1-11-24-16/h1-11H,(H,22,23).
What are the key properties of N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide?
N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2795636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).