3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline

C20H16F6N2O — CID 155515043

IUPAC3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline
SMILESFC(F)(F)c1cccc(NCc2ccc(CNc3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C20H16F6N2O/c21-19(22,23)13-3-1-5-15(9-13)27-11-17-7-8-18(29-17)12-28-16-6-2-4-14(10-16)20(24,25)26/h1-10,27-28H,11-12H2
InChIKeyDKCJRXSPRZZIAP-UHFFFAOYSA-N
MW414.35 g/mol
LogP6.54
Rot. Bonds6

About 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline

3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline (PubChem CID 155515043) has the molecular formula C20H16F6N2O and a molecular weight of 414.35 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline
PubChem CID155515043
Molecular FormulaC20H16F6N2O
Molecular Weight414.35 g/mol
Exact Mass414.12
IUPAC Name3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline
SMILESFC(F)(F)c1cccc(NCc2ccc(CNc3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C20H16F6N2O/c21-19(22,23)13-3-1-5-15(9-13)27-11-17-7-8-18(29-17)12-28-16-6-2-4-14(10-16)20(24,25)26/h1-10,27-28H,11-12H2
InChIKeyDKCJRXSPRZZIAP-UHFFFAOYSA-N
XLogP6.54
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 306227
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247
N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide
CID 2446512
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
1-(Furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696318
4-({[(furan-2-yl)methyl]amino}methyl)-N,N-dimethylaniline
CID 776373
Furan-2-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(3-fluoro-phenyl)-amide
CID 648900
N-(2-furylmethyl)-2-[(3-phenylpropanoyl)amino]benzamide
CID 900537
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
CID 974087
N-(2-furylmethyl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 1243639
N-[3-(benzylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 1245341

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline (CID 155515043) is 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline is FC(F)(F)c1cccc(NCc2ccc(CNc3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline?
The InChIKey is DKCJRXSPRZZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O/c21-19(22,23)13-3-1-5-15(9-13)27-11-17-7-8-18(29-17)12-28-16-6-2-4-14(10-16)20(24,25)26/h1-10,27-28H,11-12H2.
What are the key properties of 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline?
3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline has a molecular weight of 414.35 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 155515043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).