N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

C17H20FN3O3 — CID 51162690

IUPACN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)CNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C17H20FN3O3/c1-21(2)14(15-8-5-9-24-15)10-19-16(22)11-20-17(23)12-6-3-4-7-13(12)18/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKUJNJUIQLVZCME-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.57
Rot. Bonds7

About N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 51162690) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID51162690
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)CNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C17H20FN3O3/c1-21(2)14(15-8-5-9-24-15)10-19-16(22)11-20-17(23)12-6-3-4-7-13(12)18/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKUJNJUIQLVZCME-UHFFFAOYSA-N
XLogP1.57
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(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
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 95157413
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]-3-methylbutanamide;hydrochloride
CID 52985245
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 51162690) is N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is CN(C)C(CNC(=O)CNC(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is KUJNJUIQLVZCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-21(2)14(15-8-5-9-24-15)10-19-16(22)11-20-17(23)12-6-3-4-7-13(12)18/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 333.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 51162690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).