N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide

C13H9ClF3NO2 — CID 2932860

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-11-6-8(13(15,16)17)2-3-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyAOKZUPCVINZKAR-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.51
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 2932860) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID2932860
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-11-6-8(13(15,16)17)2-3-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyAOKZUPCVINZKAR-UHFFFAOYSA-N
XLogP4.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(2,6-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 897861
2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 738837
3-{3-[(2-Methyl-3-furoyl)amino]phenyl}acrylic acid
CID 777625
N-(5-chloro-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 844961
N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 903579
N-(2-ethylphenyl)-2-methylfuran-3-carboxamide
CID 844353
N-(3-acetylphenyl)-2-methyl-3-furamide
CID 896770
N-(3,4-dimethylphenyl)-2-methyl-3-furamide
CID 897154
Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)carbonyl)amino)-, 1-methylethyl ester
CID 461725
N-(3-chloro-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 705602

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (CID 2932860) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is AOKZUPCVINZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-11-6-8(13(15,16)17)2-3-10(11)14/h2-6H,1H3,(H,18,19).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).