N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide

C17H10Cl2F2N2O3 — CID 35336225

IUPACN-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C17H10Cl2F2N2O3/c18-9-5-12(19)16(22-7-9)23-17(24)15-4-2-11(26-15)8-25-14-3-1-10(20)6-13(14)21/h1-7H,8H2,(H,22,23,24)
InChIKeyKEACSCSSRRGTCV-UHFFFAOYSA-N
MW399.18 g/mol
LogP5.09
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide

N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 35336225) has the molecular formula C17H10Cl2F2N2O3 and a molecular weight of 399.18 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
PubChem CID35336225
Molecular FormulaC17H10Cl2F2N2O3
Molecular Weight399.18 g/mol
Exact Mass398.00
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C17H10Cl2F2N2O3/c18-9-5-12(19)16(22-7-9)23-17(24)15-4-2-11(26-15)8-25-14-3-1-10(20)6-13(14)21/h1-7H,8H2,(H,22,23,24)
InChIKeyKEACSCSSRRGTCV-UHFFFAOYSA-N
XLogP5.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.18
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453287
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453250
5-[(2,4-difluorophenoxy)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35336375
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19453022
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19453358
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19402969

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide (CID 35336225) is N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ncc(Cl)cc1Cl)c1ccc(COc2ccc(F)cc2F)o1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is KEACSCSSRRGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2O3/c18-9-5-12(19)16(22-7-9)23-17(24)15-4-2-11(26-15)8-25-14-3-1-10(20)6-13(14)21/h1-7H,8H2,(H,22,23,24).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 399.18 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 35336225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).