4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide

C18H20FN3O2 — CID 17424193

IUPAC4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-12(22(2)11-13-4-3-5-15(19)10-13)18(24)21-16-8-6-14(7-9-16)17(20)23/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXFIMUBZCHOMEFI-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.38
Rot. Bonds6

About 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide

4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide (PubChem CID 17424193) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
PubChem CID17424193
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-12(22(2)11-13-4-3-5-15(19)10-13)18(24)21-16-8-6-14(7-9-16)17(20)23/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXFIMUBZCHOMEFI-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 47007628
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide (CID 17424193) is 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide is CC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1cccc(F)c1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide?
The InChIKey is XFIMUBZCHOMEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(22(2)11-13-4-3-5-15(19)10-13)18(24)21-16-8-6-14(7-9-16)17(20)23/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide?
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide has a molecular weight of 329.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 17424193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).