3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide

C19H22FN3O2 — CID 120884910

IUPAC3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-14(24)22-18-13-16(7-8-17(18)20)19(25)23(12-10-21)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H,22,24)
InChIKeyBOHXCTYAOJPXQB-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.43
Rot. Bonds7

About 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide

3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 120884910) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
PubChem CID120884910
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-14(24)22-18-13-16(7-8-17(18)20)19(25)23(12-10-21)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H,22,24)
InChIKeyBOHXCTYAOJPXQB-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60567345
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide (CID 120884910) is 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide is CC(=O)Nc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F.
What is the InChIKey of 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is BOHXCTYAOJPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14(24)22-18-13-16(7-8-17(18)20)19(25)23(12-10-21)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H,22,24).
What are the key properties of 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide?
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120884910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).