2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide

C13H18F2N2O — CID 115767711

IUPAC2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-17(4-2)13(18)9-16-8-10-5-11(14)7-12(15)6-10/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyQNOFWQDYTWVNAP-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.92
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide

2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide (PubChem CID 115767711) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
PubChem CID115767711
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-17(4-2)13(18)9-16-8-10-5-11(14)7-12(15)6-10/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyQNOFWQDYTWVNAP-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
CID 107685979
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide (CID 115767711) is 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is QNOFWQDYTWVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-17(4-2)13(18)9-16-8-10-5-11(14)7-12(15)6-10/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide?
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide has a molecular weight of 256.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 115767711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).