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

C19H15Cl2NO3 — CID 19454983

IUPACN-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H15Cl2NO3/c1-12-4-2-3-5-17(12)24-11-14-7-9-18(25-14)19(23)22-13-6-8-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyAZHNIQWCDFQAMA-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.73
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454983) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19454983
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC NameN-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H15Cl2NO3/c1-12-4-2-3-5-17(12)24-11-14-7-9-18(25-14)19(23)22-13-6-8-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyAZHNIQWCDFQAMA-UHFFFAOYSA-N
XLogP5.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455100
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 43845083

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19454983) is N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is AZHNIQWCDFQAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-12-4-2-3-5-17(12)24-11-14-7-9-18(25-14)19(23)22-13-6-8-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).