2-(3-aminopropylamino)-5-bromobenzamide

C10H14BrN3O — CID 114893923

IUPAC2-(3-aminopropylamino)-5-bromobenzamide
SMILESNCCCNc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C10H14BrN3O/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)
InChIKeyYIJCLHGQBCFAPK-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.31
Rot. Bonds5

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

2-(3-aminopropylamino)-5-bromobenzamide (PubChem CID 114893923) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-5-bromobenzamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-5-bromobenzamide
PubChem CID114893923
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-(3-aminopropylamino)-5-bromobenzamide
SMILESNCCCNc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C10H14BrN3O/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)
InChIKeyYIJCLHGQBCFAPK-UHFFFAOYSA-N
XLogP1.31
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.31
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

7-(4-bromo-2-carbamoylanilino)heptanoic acid
CID 114889974
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
ethyl 4-(4-bromo-2-carbamoylanilino)butanoate
CID 114890139
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
CID 114893954
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
5-bromo-2-(2-fluoroethylamino)benzoic acid
CID 130504978
5-bromo-2-(butanoylamino)benzamide
CID 12989236
5-bromo-2-(propylamino)benzenecarbothioamide
CID 114891112
4-bromo-2-[2-(propan-2-ylamino)ethylamino]benzamide
CID 114905463

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-5-bromobenzamide?
The IUPAC name of 2-(3-aminopropylamino)-5-bromobenzamide (CID 114893923) is 2-(3-aminopropylamino)-5-bromobenzamide.
What is the SMILES notation for 2-(3-aminopropylamino)-5-bromobenzamide?
The canonical SMILES for 2-(3-aminopropylamino)-5-bromobenzamide is NCCCNc1ccc(Br)cc1C(N)=O.
What is the InChIKey of 2-(3-aminopropylamino)-5-bromobenzamide?
The InChIKey is YIJCLHGQBCFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/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-bromobenzamide?
2-(3-aminopropylamino)-5-bromobenzamide has a molecular weight of 272.15 g/mol, XLogP of 1.31, 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-bromobenzamide is sourced from PubChem (CID 114893923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).