5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide

C13H10ClF2NO2 — CID 113228849

IUPAC5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H10ClF2NO2/c14-12-2-1-11(19-12)13(18)17-4-3-8-5-9(15)7-10(16)6-8/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyOPBKICQBUBHITK-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide

5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 113228849) has the molecular formula C13H10ClF2NO2 and a molecular weight of 285.68 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
PubChem CID113228849
Molecular FormulaC13H10ClF2NO2
Molecular Weight285.68 g/mol
Exact Mass285.04
IUPAC Name5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H10ClF2NO2/c14-12-2-1-11(19-12)13(18)17-4-3-8-5-9(15)7-10(16)6-8/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyOPBKICQBUBHITK-UHFFFAOYSA-N
XLogP3.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 114372223
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 33329592
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 103839345
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide (CID 113228849) is 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide is O=C(NCCc1cc(F)cc(F)c1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is OPBKICQBUBHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2/c14-12-2-1-11(19-12)13(18)17-4-3-8-5-9(15)7-10(16)6-8/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 285.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113228849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).