N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide

C12H9ClFNO2 — CID 110859335

IUPACN-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
SMILESCc1coc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H9ClFNO2/c1-7-4-11(17-6-7)12(16)15-8-2-3-10(14)9(13)5-8/h2-6H,1H3,(H,15,16)
InChIKeyFSWGADZQUVYTRE-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.63
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide

N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide (PubChem CID 110859335) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
PubChem CID110859335
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
SMILESCc1coc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H9ClFNO2/c1-7-4-11(17-6-7)12(16)15-8-2-3-10(14)9(13)5-8/h2-6H,1H3,(H,15,16)
InChIKeyFSWGADZQUVYTRE-UHFFFAOYSA-N
XLogP3.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(4-acetamidophenyl)-4-methylfuran-2-carboxamide
CID 110861468
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide (CID 110859335) is N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide is Cc1coc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide?
The InChIKey is FSWGADZQUVYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c1-7-4-11(17-6-7)12(16)15-8-2-3-10(14)9(13)5-8/h2-6H,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide is sourced from PubChem (CID 110859335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).