4-amino-N-(3-aminopropyl)-2-bromobenzamide

C10H14BrN3O — CID 110487161

IUPAC4-amino-N-(3-aminopropyl)-2-bromobenzamide
SMILESNCCCNC(=O)c1ccc(N)cc1Br
InChIInChI=1S/C10H14BrN3O/c11-9-6-7(13)2-3-8(9)10(15)14-5-1-4-12/h2-3,6H,1,4-5,12-13H2,(H,14,15)
InChIKeyPSUGNISTDYAUFM-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.11
Rot. Bonds4

About 4-amino-N-(3-aminopropyl)-2-bromobenzamide

4-amino-N-(3-aminopropyl)-2-bromobenzamide (PubChem CID 110487161) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-amino-N-(3-aminopropyl)-2-bromobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-aminopropyl)-2-bromobenzamide
PubChem CID110487161
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-amino-N-(3-aminopropyl)-2-bromobenzamide
SMILESNCCCNC(=O)c1ccc(N)cc1Br
InChIInChI=1S/C10H14BrN3O/c11-9-6-7(13)2-3-8(9)10(15)14-5-1-4-12/h2-3,6H,1,4-5,12-13H2,(H,14,15)
InChIKeyPSUGNISTDYAUFM-UHFFFAOYSA-N
XLogP1.11
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)-2-bromobenzamide
CID 110487153
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
4-N-(3-aminopropyl)-2,3-dihydroxybenzene-1,4-dicarboxamide
CID 123259789
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-aminopropyl)-2-bromobenzamide?
The IUPAC name of 4-amino-N-(3-aminopropyl)-2-bromobenzamide (CID 110487161) is 4-amino-N-(3-aminopropyl)-2-bromobenzamide.
What is the SMILES notation for 4-amino-N-(3-aminopropyl)-2-bromobenzamide?
The canonical SMILES for 4-amino-N-(3-aminopropyl)-2-bromobenzamide is NCCCNC(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-N-(3-aminopropyl)-2-bromobenzamide?
The InChIKey is PSUGNISTDYAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-6-7(13)2-3-8(9)10(15)14-5-1-4-12/h2-3,6H,1,4-5,12-13H2,(H,14,15).
What are the key properties of 4-amino-N-(3-aminopropyl)-2-bromobenzamide?
4-amino-N-(3-aminopropyl)-2-bromobenzamide has a molecular weight of 272.15 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-aminopropyl)-2-bromobenzamide is sourced from PubChem (CID 110487161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).