N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide

C26H19ClF3NO3 — CID 44759678

IUPACN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)Cc1ccco1
InChIInChI=1S/C26H19ClF3NO3/c27-21-9-11-22(12-10-21)34-23-7-1-4-18(14-23)16-31(17-24-8-3-13-33-24)25(32)19-5-2-6-20(15-19)26(28,29)30/h1-15H,16-17H2
InChIKeyWXXKOMBMKFPJGT-UHFFFAOYSA-N
MW485.89 g/mol
LogP7.59
Rot. Bonds7

About N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide

N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 44759678) has the molecular formula C26H19ClF3NO3 and a molecular weight of 485.89 g/mol. Its IUPAC name is N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID44759678
Molecular FormulaC26H19ClF3NO3
Molecular Weight485.89 g/mol
Exact Mass485.10
IUPAC NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)Cc1ccco1
InChIInChI=1S/C26H19ClF3NO3/c27-21-9-11-22(12-10-21)34-23-7-1-4-18(14-23)16-31(17-24-8-3-13-33-24)25(32)19-5-2-6-20(15-19)26(28,29)30/h1-15H,16-17H2
InChIKeyWXXKOMBMKFPJGT-UHFFFAOYSA-N
XLogP7.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
[3-[[[2-(4-chlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 5004251
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
[4-[[(4-chlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4163172
[3-[[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196487
[5-[[furan-2-ylmethyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate
CID 4166499
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159
[3-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3269757
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
[3-[[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 42775425
[3-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 42775535

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 44759678) is N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)Cc1ccco1.
What is the InChIKey of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WXXKOMBMKFPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3NO3/c27-21-9-11-22(12-10-21)34-23-7-1-4-18(14-23)16-31(17-24-8-3-13-33-24)25(32)19-5-2-6-20(15-19)26(28,29)30/h1-15H,16-17H2.
What are the key properties of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 485.89 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).