3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide

C17H19FN2O — CID 62592272

IUPAC3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCN)c1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-12(14-5-3-7-16(18)11-14)20-17(21)15-6-2-4-13(10-15)8-9-19/h2-7,10-12H,8-9,19H2,1H3,(H,20,21)
InChIKeyFKVZZWUFURJUMZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.82
Rot. Bonds5

About 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide

3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 62592272) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
PubChem CID62592272
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCN)c1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-12(14-5-3-7-16(18)11-14)20-17(21)15-6-2-4-13(10-15)8-9-19/h2-7,10-12H,8-9,19H2,1H3,(H,20,21)
InChIKeyFKVZZWUFURJUMZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide (CID 62592272) is 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(CCN)c1)c1cccc(F)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is FKVZZWUFURJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(14-5-3-7-16(18)11-14)20-17(21)15-6-2-4-13(10-15)8-9-19/h2-7,10-12H,8-9,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide?
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 62592272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).