2-(3-aminopropylamino)-5-fluorobenzamide

C10H14FN3O — CID 63674481

IUPAC2-(3-aminopropylamino)-5-fluorobenzamide
SMILESNCCCNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C10H14FN3O/c11-7-2-3-9(14-5-1-4-12)8(6-7)10(13)15/h2-3,6,14H,1,4-5,12H2,(H2,13,15)
InChIKeyZNUVMADGFIGMEZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.69
Rot. Bonds5

About 2-(3-aminopropylamino)-5-fluorobenzamide

2-(3-aminopropylamino)-5-fluorobenzamide (PubChem CID 63674481) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-5-fluorobenzamide
PubChem CID63674481
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(3-aminopropylamino)-5-fluorobenzamide
SMILESNCCCNc1ccc(F)cc1C(N)=O
InChIInChI=1S/C10H14FN3O/c11-7-2-3-9(14-5-1-4-12)8(6-7)10(13)15/h2-3,6,14H,1,4-5,12H2,(H2,13,15)
InChIKeyZNUVMADGFIGMEZ-UHFFFAOYSA-N
XLogP0.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylamino)-5-bromobenzamide
CID 114893923
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
CID 63673977
2-(2-carbamothioyl-4-fluoroanilino)ethyl carbamate
CID 83205178
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
2-[3-(dimethylamino)propylamino]-5-fluorobenzenecarbothioamide
CID 55234302
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
CID 130609429
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
5-fluoro-2-(4-hydroxypentylamino)benzoic acid
CID 106137596

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-5-fluorobenzamide?
The IUPAC name of 2-(3-aminopropylamino)-5-fluorobenzamide (CID 63674481) is 2-(3-aminopropylamino)-5-fluorobenzamide.
What is the SMILES notation for 2-(3-aminopropylamino)-5-fluorobenzamide?
The canonical SMILES for 2-(3-aminopropylamino)-5-fluorobenzamide is NCCCNc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(3-aminopropylamino)-5-fluorobenzamide?
The InChIKey is ZNUVMADGFIGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-2-3-9(14-5-1-4-12)8(6-7)10(13)15/h2-3,6,14H,1,4-5,12H2,(H2,13,15).
What are the key properties of 2-(3-aminopropylamino)-5-fluorobenzamide?
2-(3-aminopropylamino)-5-fluorobenzamide has a molecular weight of 211.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-5-fluorobenzamide is sourced from PubChem (CID 63674481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).