5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide

C20H15ClF3NO2 — CID 2975465

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C20H15ClF3NO2/c1-12(13-5-3-2-4-6-13)25-19(26)18-10-9-17(27-18)15-11-14(20(22,23)24)7-8-16(15)21/h2-12H,1H3,(H,25,26)
InChIKeyOBNKLXCMXWYASJ-UHFFFAOYSA-N
MW393.79 g/mol
LogP6.11
Rot. Bonds4

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 2975465) has the molecular formula C20H15ClF3NO2 and a molecular weight of 393.79 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID2975465
Molecular FormulaC20H15ClF3NO2
Molecular Weight393.79 g/mol
Exact Mass393.07
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C20H15ClF3NO2/c1-12(13-5-3-2-4-6-13)25-19(26)18-10-9-17(27-18)15-11-14(20(22,23)24)7-8-16(15)21/h2-12H,1H3,(H,25,26)
InChIKeyOBNKLXCMXWYASJ-UHFFFAOYSA-N
XLogP6.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.79
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
[5-(2,4-Dichlorophenyl)furan-2-yl](morpholin-4-yl)methanone
CID 919410
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 2526943
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
[5-(2-Chlorophenyl)-2-furyl]-(3-methylpiperidino)methanone
CID 18105311
5-(4-chlorophenyl)-N-cyclohexyl-2-furamide
CID 18230215
5-(2,2,2-Trifluoro-ethoxymethyl)-furan-2-carboxylic acid 4-chloro-benzylamide
CID 647424
N-(2-chlorobenzyl)-1-benzofuran-2-carboxamide
CID 753536
N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 941243

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 2975465) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccccc1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is OBNKLXCMXWYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO2/c1-12(13-5-3-2-4-6-13)25-19(26)18-10-9-17(27-18)15-11-14(20(22,23)24)7-8-16(15)21/h2-12H,1H3,(H,25,26).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 393.79 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 2975465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).