2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide

C12H6F5NO2 — CID 2168476

IUPAC2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H6F5NO2/c1-4-5(2-3-20-4)12(19)18-11-9(16)7(14)6(13)8(15)10(11)17/h2-3H,1H3,(H,18,19)
InChIKeyXCBYXSKHHFELCN-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide

2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide (PubChem CID 2168476) has the molecular formula C12H6F5NO2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide
PubChem CID2168476
Molecular FormulaC12H6F5NO2
Molecular Weight291.18 g/mol
Exact Mass291.03
IUPAC Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H6F5NO2/c1-4-5(2-3-20-4)12(19)18-11-9(16)7(14)6(13)8(15)10(11)17/h2-3H,1H3,(H,18,19)
InChIKeyXCBYXSKHHFELCN-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Methfuroxam
CID 34313
Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(2,6-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 897861
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 2558565
N-(4-fluorophenyl)-1-(2-methyl-3-furoyl)-3-piperidinamine
CID 24817365
2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 738837
3-{3-[(2-Methyl-3-furoyl)amino]phenyl}acrylic acid
CID 777625
N-(2-methoxy-5-methylphenyl)-2-methylfuran-3-carboxamide
CID 887290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide (CID 2168476) is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide is Cc1occc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide?
The InChIKey is XCBYXSKHHFELCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO2/c1-4-5(2-3-20-4)12(19)18-11-9(16)7(14)6(13)8(15)10(11)17/h2-3H,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide?
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)furan-3-carboxamide is sourced from PubChem (CID 2168476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).