N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

C20H17Cl2NO3 — CID 19446793

IUPACN-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C20H17Cl2NO3/c1-12-4-3-5-13(2)19(12)25-11-15-7-9-18(26-15)20(24)23-14-6-8-16(21)17(22)10-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyJIVSDEFAVBDAAC-UHFFFAOYSA-N
MW390.27 g/mol
LogP6.03
Rot. Bonds5

About N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19446793) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19446793
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC NameN-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C20H17Cl2NO3/c1-12-4-3-5-13(2)19(12)25-11-15-7-9-18(26-15)20(24)23-14-6-8-16(21)17(22)10-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyJIVSDEFAVBDAAC-UHFFFAOYSA-N
XLogP6.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459413
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19345106
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446908
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446868
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19335203
5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19446949
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19446793) is N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is JIVSDEFAVBDAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-12-4-3-5-13(2)19(12)25-11-15-7-9-18(26-15)20(24)23-14-6-8-16(21)17(22)10-14/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 6.03, 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-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).