N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide

C16H19FN2O2 — CID 80710543

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1F
InChIInChI=1S/C16H19FN2O2/c1-11-6-4-7-12(15(11)17)16(20)18-10-13(19(2)3)14-8-5-9-21-14/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyPNHDZHNSNCLZGZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide (PubChem CID 80710543) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
PubChem CID80710543
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1F
InChIInChI=1S/C16H19FN2O2/c1-11-6-4-7-12(15(11)17)16(20)18-10-13(19(2)3)14-8-5-9-21-14/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyPNHDZHNSNCLZGZ-UHFFFAOYSA-N
XLogP2.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 4878728
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 51162698
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 51162690
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 55332202
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide (CID 80710543) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1F.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide?
The InChIKey is PNHDZHNSNCLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-6-4-7-12(15(11)17)16(20)18-10-13(19(2)3)14-8-5-9-21-14/h4-9,13H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).