4-bromo-N-[2-(propylamino)ethyl]benzamide

C12H17BrN2O — CID 62658628

IUPAC4-bromo-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-7-14-8-9-15-12(16)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyHPJDQVGHRBLCJN-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.18
Rot. Bonds6

About 4-bromo-N-[2-(propylamino)ethyl]benzamide

4-bromo-N-[2-(propylamino)ethyl]benzamide (PubChem CID 62658628) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-bromo-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(propylamino)ethyl]benzamide
PubChem CID62658628
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-7-14-8-9-15-12(16)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyHPJDQVGHRBLCJN-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-hexadecylbenzamide
CID 54791037
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(propylamino)ethyl]benzamide (CID 62658628) is 4-bromo-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is HPJDQVGHRBLCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-7-14-8-9-15-12(16)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[2-(propylamino)ethyl]benzamide?
4-bromo-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 285.18 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 62658628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).