2-(1-aminopropan-2-ylamino)-5-fluorobenzamide

C10H14FN3O — CID 63731312

IUPAC2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
SMILESCC(CN)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C10H14FN3O/c1-6(5-12)14-9-3-2-7(11)4-8(9)10(13)15/h2-4,6,14H,5,12H2,1H3,(H2,13,15)
InChIKeyHGSKFPLNHSFELT-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.68
Rot. Bonds4

About 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide

2-(1-aminopropan-2-ylamino)-5-fluorobenzamide (PubChem CID 63731312) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
PubChem CID63731312
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
SMILESCC(CN)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C10H14FN3O/c1-6(5-12)14-9-3-2-7(11)4-8(9)10(13)15/h2-4,6,14H,5,12H2,1H3,(H2,13,15)
InChIKeyHGSKFPLNHSFELT-UHFFFAOYSA-N
XLogP0.68
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminopropan-2-ylamino)-5-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

5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
CID 82847895
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
CID 62536813
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide?
The IUPAC name of 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide (CID 63731312) is 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide?
The canonical SMILES for 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide is CC(CN)Nc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide?
The InChIKey is HGSKFPLNHSFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(5-12)14-9-3-2-7(11)4-8(9)10(13)15/h2-4,6,14H,5,12H2,1H3,(H2,13,15).
What are the key properties of 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide?
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide has a molecular weight of 211.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylamino)-5-fluorobenzamide is sourced from PubChem (CID 63731312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).