5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide

C14H13ClFNO2 — CID 113219634

IUPAC5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13ClFNO2/c1-9(10-3-5-11(16)6-4-10)17(2)14(18)12-7-8-13(15)19-12/h3-9H,1-2H3
InChIKeyJTQJKICYGHXTKD-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.91
Rot. Bonds3

About 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide

5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide (PubChem CID 113219634) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
PubChem CID113219634
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13ClFNO2/c1-9(10-3-5-11(16)6-4-10)17(2)14(18)12-7-8-13(15)19-12/h3-9H,1-2H3
InChIKeyJTQJKICYGHXTKD-UHFFFAOYSA-N
XLogP3.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
3-[(5-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836895
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 103817080
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
CID 106689304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide (CID 113219634) is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is JTQJKICYGHXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-9(10-3-5-11(16)6-4-10)17(2)14(18)12-7-8-13(15)19-12/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide?
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 281.71 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 113219634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).