3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide

C13H20FN3O — CID 107441566

IUPAC3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
SMILESCC(C)C(CN)CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H20FN3O/c1-8(2)10(6-15)7-17-12-5-9(13(16)18)3-4-11(12)14/h3-5,8,10,17H,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyWGCCJQGNFAXGGZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.57
Rot. Bonds6

About 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide

3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide (PubChem CID 107441566) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
PubChem CID107441566
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
SMILESCC(C)C(CN)CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H20FN3O/c1-8(2)10(6-15)7-17-12-5-9(13(16)18)3-4-11(12)14/h3-5,8,10,17H,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyWGCCJQGNFAXGGZ-UHFFFAOYSA-N
XLogP1.57
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688
3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
CID 107442927
5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
CID 107441237
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
CID 66131700
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide (CID 107441566) is 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide is CC(C)C(CN)CNc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide?
The InChIKey is WGCCJQGNFAXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-8(2)10(6-15)7-17-12-5-9(13(16)18)3-4-11(12)14/h3-5,8,10,17H,6-7,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide?
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide has a molecular weight of 253.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide is sourced from PubChem (CID 107441566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).