5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide

C12H8ClF2NO3 — CID 87031550

IUPAC5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1c(F)cc(NC(=O)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C12H8ClF2NO3/c1-18-11-7(14)4-6(5-8(11)15)16-12(17)9-2-3-10(13)19-9/h2-5H,1H3,(H,16,17)
InChIKeyAEEYNAVNJYFXEA-UHFFFAOYSA-N
MW287.65 g/mol
LogP3.47
Rot. Bonds3

About 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide

5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide (PubChem CID 87031550) has the molecular formula C12H8ClF2NO3 and a molecular weight of 287.65 g/mol. Its IUPAC name is 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
PubChem CID87031550
Molecular FormulaC12H8ClF2NO3
Molecular Weight287.65 g/mol
Exact Mass287.02
IUPAC Name5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1c(F)cc(NC(=O)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C12H8ClF2NO3/c1-18-11-7(14)4-6(5-8(11)15)16-12(17)9-2-3-10(13)19-9/h2-5H,1H3,(H,16,17)
InChIKeyAEEYNAVNJYFXEA-UHFFFAOYSA-N
XLogP3.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-5-chlorofuran-2-carboxamide
CID 65498748
methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
CID 34059859
5-chloro-N-(2-chloro-4,6-difluorophenyl)furan-2-carboxamide
CID 113343811
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
N-(2-amino-5-methoxyphenyl)-5-chlorofuran-2-carboxamide
CID 63258039
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
CID 107336561
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide (CID 87031550) is 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide is COc1c(F)cc(NC(=O)c2ccc(Cl)o2)cc1F.
What is the InChIKey of 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is AEEYNAVNJYFXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3/c1-18-11-7(14)4-6(5-8(11)15)16-12(17)9-2-3-10(13)19-9/h2-5H,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide?
5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 287.65 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 87031550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).