5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide

C18H12Cl3NO3 — CID 19446098

IUPAC5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C18H12Cl3NO3/c19-11-2-1-3-13(8-11)24-10-14-5-7-17(25-14)18(23)22-12-4-6-15(20)16(21)9-12/h1-9H,10H2,(H,22,23)
InChIKeyQIPTYNMOGSMUJW-UHFFFAOYSA-N
MW396.66 g/mol
LogP6.07
Rot. Bonds5

About 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 19446098) has the molecular formula C18H12Cl3NO3 and a molecular weight of 396.66 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID19446098
Molecular FormulaC18H12Cl3NO3
Molecular Weight396.66 g/mol
Exact Mass394.99
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C18H12Cl3NO3/c19-11-2-1-3-13(8-11)24-10-14-5-7-17(25-14)18(23)22-12-4-6-15(20)16(21)9-12/h1-9H,10H2,(H,22,23)
InChIKeyQIPTYNMOGSMUJW-UHFFFAOYSA-N
XLogP6.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
5-[(3-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19446268
butyl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4549301
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide (CID 19446098) is 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is QIPTYNMOGSMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NO3/c19-11-2-1-3-13(8-11)24-10-14-5-7-17(25-14)18(23)22-12-4-6-15(20)16(21)9-12/h1-9H,10H2,(H,22,23).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 396.66 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 19446098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).