N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide

C19H14F3NO2 — CID 66991393

IUPACN-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccc(-c2ccco2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)16-7-2-6-15(11-16)18(24)23-12-13-4-1-5-14(10-13)17-8-3-9-25-17/h1-11H,12H2,(H,23,24)
InChIKeySBWYKKULLQYEBA-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.90
Rot. Bonds4

About N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide

N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 66991393) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID66991393
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC NameN-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccc(-c2ccco2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)16-7-2-6-15(11-16)18(24)23-12-13-4-1-5-14(10-13)17-8-3-9-25-17/h1-11H,12H2,(H,23,24)
InChIKeySBWYKKULLQYEBA-UHFFFAOYSA-N
XLogP4.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Furylmethyl)benzamide
CID 236716
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 692689
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
(1-Hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
CID 41493323
N-[[3-(furan-2-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 16109483
N-(furan-2-ylmethyl)-2,4-dimethylbenzamide
CID 1088346
(E)-N-(4-fluorophenethyl)-3-(furan-2-yl)acrylamide
CID 7700192
N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide
CID 742991
3-(4-fluorophenyl)-N-(2-furylmethyl)acrylamide
CID 773742
N-(4-fluorobenzyl)-3-(2-furyl)acrylamide
CID 5644611

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide (CID 66991393) is N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1cccc(-c2ccco2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SBWYKKULLQYEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)16-7-2-6-15(11-16)18(24)23-12-13-4-1-5-14(10-13)17-8-3-9-25-17/h1-11H,12H2,(H,23,24).
What are the key properties of N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 345.32 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66991393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).