5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide

C14H13Cl2NO3 — CID 19456984

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2NO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyCEPLSCGMGDTUQG-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.92
Rot. Bonds5

About 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide (PubChem CID 19456984) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
PubChem CID19456984
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2NO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyCEPLSCGMGDTUQG-UHFFFAOYSA-N
XLogP3.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19456889
N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 95748474
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19330046
N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide (CID 19456984) is 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide is CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The InChIKey is CEPLSCGMGDTUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 19456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).