3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

C16H18Cl2N2O3 — CID 112502933

IUPAC3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H18Cl2N2O3/c1-20(2)12(13-5-4-8-23-13)9-19-16(21)14-10(17)6-7-11(18)15(14)22-3/h4-8,12H,9H2,1-3H3,(H,19,21)
InChIKeyWHFSNJWQSKAHLO-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.63
Rot. Bonds6

About 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 112502933) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
PubChem CID112502933
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C16H18Cl2N2O3/c1-20(2)12(13-5-4-8-23-13)9-19-16(21)14-10(17)6-7-11(18)15(14)22-3/h4-8,12H,9H2,1-3H3,(H,19,21)
InChIKeyWHFSNJWQSKAHLO-UHFFFAOYSA-N
XLogP3.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
CID 51145070
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 4884538
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
CID 55332491
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (CID 112502933) is 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is WHFSNJWQSKAHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-20(2)12(13-5-4-8-23-13)9-19-16(21)14-10(17)6-7-11(18)15(14)22-3/h4-8,12H,9H2,1-3H3,(H,19,21).
What are the key properties of 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 357.24 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 112502933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).