4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide

C12H17FN2O2 — CID 62021395

IUPAC4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
SMILESCCN(CCO)Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17)
InChIKeyDKKLMBKYSLDVHQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.74
Rot. Bonds6

About 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide

4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide (PubChem CID 62021395) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
PubChem CID62021395
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
SMILESCCN(CCO)Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17)
InChIKeyDKKLMBKYSLDVHQ-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzamide
CID 62020933
4-[[ethyl(3-hydroxypropyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 113468697
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052414
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
CID 61446080
4-[[butyl(2-hydroxyethyl)amino]methyl]-3-nitrobenzamide
CID 60968329
2-[(4-carbamoyl-2-fluorophenyl)methyl-propan-2-ylamino]acetic acid
CID 60839972
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide?
The IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide (CID 62021395) is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide is CCN(CCO)Cc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide?
The InChIKey is DKKLMBKYSLDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17).
What are the key properties of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide?
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide has a molecular weight of 240.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide is sourced from PubChem (CID 62021395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).