5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide

C19H25ClN2O3 — CID 19415422

IUPAC5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H25ClN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23)
InChIKeyGRJZEDNEXRSVDE-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.97
Rot. Bonds10

About 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide

5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide (PubChem CID 19415422) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
PubChem CID19415422
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H25ClN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23)
InChIKeyGRJZEDNEXRSVDE-UHFFFAOYSA-N
XLogP3.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041
N-[3-(diethylamino)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465978
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461738
4-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]butanoyl chloride
CID 19452402
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19295468
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide (CID 19415422) is 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide is CCN(CC)CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide?
The InChIKey is GRJZEDNEXRSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-3-22(4-2)13-5-12-21-19(23)18-11-10-17(25-18)14-24-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H,21,23).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 19415422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).