3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide

C17H20Cl2N2O3 — CID 19114423

IUPAC3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c1-4-23-16-12(18)8-11(9-13(16)19)17(22)20-10-14(21(2)3)15-6-5-7-24-15/h5-9,14H,4,10H2,1-3H3,(H,20,22)
InChIKeyPMYFVWPOFNOBNB-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.02
Rot. Bonds7

About 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide

3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide (PubChem CID 19114423) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
PubChem CID19114423
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c1-4-23-16-12(18)8-11(9-13(16)19)17(22)20-10-14(21(2)3)15-6-5-7-24-15/h5-9,14H,4,10H2,1-3H3,(H,20,22)
InChIKeyPMYFVWPOFNOBNB-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
CID 55332491
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
CID 51145070
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 112502933
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide (CID 19114423) is 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide is CCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
The InChIKey is PMYFVWPOFNOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c1-4-23-16-12(18)8-11(9-13(16)19)17(22)20-10-14(21(2)3)15-6-5-7-24-15/h5-9,14H,4,10H2,1-3H3,(H,20,22).
What are the key properties of 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide?
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide has a molecular weight of 371.26 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 19114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).