3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride

C13H19ClFN3O2 — CID 119496404

IUPAC3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCCC(C)N)ccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-8(15)5-6-16-13(19)10-3-4-11(14)12(7-10)17-9(2)18;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyQRIJDYRBZKALRS-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.67
Rot. Bonds5

About 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride

3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride (PubChem CID 119496404) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
PubChem CID119496404
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.77 g/mol
Exact Mass303.11
IUPAC Name3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCCC(C)N)ccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-8(15)5-6-16-13(19)10-3-4-11(14)12(7-10)17-9(2)18;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyQRIJDYRBZKALRS-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119406204
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CID 119506214
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride (CID 119496404) is 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride is CC(=O)Nc1cc(C(=O)NCCC(C)N)ccc1F.Cl.
What is the InChIKey of 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride?
The InChIKey is QRIJDYRBZKALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c1-8(15)5-6-16-13(19)10-3-4-11(14)12(7-10)17-9(2)18;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride?
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride has a molecular weight of 303.77 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119496404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).