2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide

C13H19FN2O2 — CID 113246293

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-2-16(8-5-9-17)10-13(18)15-12-7-4-3-6-11(12)14/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,15,18)
InChIKeyNMKDVZHNVMXNNA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.47
Rot. Bonds7

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 113246293) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID113246293
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-2-16(8-5-9-17)10-13(18)15-12-7-4-3-6-11(12)14/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,15,18)
InChIKeyNMKDVZHNVMXNNA-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 115669636
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide (CID 113246293) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide is CCN(CCCO)CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is NMKDVZHNVMXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-16(8-5-9-17)10-13(18)15-12-7-4-3-6-11(12)14/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,15,18).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 254.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113246293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).