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

C16H19BrN2O2 — CID 103852810

IUPAC2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1Br
InChIInChI=1S/C16H19BrN2O2/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)
InChIKeyLJCKLWHAOGWLMO-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.38
Rot. Bonds5

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

2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide (PubChem CID 103852810) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
PubChem CID103852810
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1Br
InChIInChI=1S/C16H19BrN2O2/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)
InChIKeyLJCKLWHAOGWLMO-UHFFFAOYSA-N
XLogP3.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.38
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
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 51162698
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 4878728
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
CID 103854605
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 43042066
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide (CID 103852810) is 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(c2ccco2)N(C)C)c1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide?
The InChIKey is LJCKLWHAOGWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/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 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide?
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide has a molecular weight of 351.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 103852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).