N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide

C13H19FN2O — CID 60559227

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-11(17)16(9-8-15(2)3)10-12-6-4-5-7-13(12)14/h4-7H,8-10H2,1-3H3
InChIKeyKJQYBSMALRLFRH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 60559227) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID60559227
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-11(17)16(9-8-15(2)3)10-12-6-4-5-7-13(12)14/h4-7H,8-10H2,1-3H3
InChIKeyKJQYBSMALRLFRH-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-ethyl-N-phenylacetamide
CID 113162234
1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
CID 55931099
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054591

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 60559227) is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CCN(C)C)Cc1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KJQYBSMALRLFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-11(17)16(9-8-15(2)3)10-12-6-4-5-7-13(12)14/h4-7H,8-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60559227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).