2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

C13H9ClF3NO2 — CID 106686763

IUPAC2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccoc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-11-10(5-6-20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyBUJFIESMWWIQDH-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.88
Rot. Bonds3

About 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 106686763) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID106686763
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccoc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-11-10(5-6-20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyBUJFIESMWWIQDH-UHFFFAOYSA-N
XLogP3.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (CID 106686763) is 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is BUJFIESMWWIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c14-11-10(5-6-20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106686763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).