N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C18H21Cl3N2O3 — CID 19415635

IUPACN-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C18H21Cl3N2O3/c1-3-23(4-2)8-7-22-18(24)16-6-5-13(26-16)11-25-17-14(20)9-12(19)10-15(17)21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyDBLNFAUXTVHANU-UHFFFAOYSA-N
MW419.74 g/mol
LogP4.89
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415635) has the molecular formula C18H21Cl3N2O3 and a molecular weight of 419.74 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415635
Molecular FormulaC18H21Cl3N2O3
Molecular Weight419.74 g/mol
Exact Mass418.06
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C18H21Cl3N2O3/c1-3-23(4-2)8-7-22-18(24)16-6-5-13(26-16)11-25-17-14(20)9-12(19)10-15(17)21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyDBLNFAUXTVHANU-UHFFFAOYSA-N
XLogP4.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
N-[3-(diethylamino)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465978
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415533
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
CID 19465878
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461738
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415569
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415635) is N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is DBLNFAUXTVHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl3N2O3/c1-3-23(4-2)8-7-22-18(24)16-6-5-13(26-16)11-25-17-14(20)9-12(19)10-15(17)21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 419.74 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).