2-(2-bromoethylamino)-N-propylbenzamide

C12H17BrN2O — CID 11066007

IUPAC2-(2-bromoethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NCCBr
InChIInChI=1S/C12H17BrN2O/c1-2-8-15-12(16)10-5-3-4-6-11(10)14-9-7-13/h3-6,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyAQZLXNAPURXBBZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.63
Rot. Bonds6

About 2-(2-bromoethylamino)-N-propylbenzamide

2-(2-bromoethylamino)-N-propylbenzamide (PubChem CID 11066007) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(2-bromoethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name2-(2-bromoethylamino)-N-propylbenzamide
PubChem CID11066007
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(2-bromoethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NCCBr
InChIInChI=1S/C12H17BrN2O/c1-2-8-15-12(16)10-5-3-4-6-11(10)14-9-7-13/h3-6,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyAQZLXNAPURXBBZ-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
2-hydrazinyl-N-propylbenzamide
CID 62238054
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
[2-(propylcarbamoyl)phenyl]boronic acid
CID 71302340

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylamino)-N-propylbenzamide?
The IUPAC name of 2-(2-bromoethylamino)-N-propylbenzamide (CID 11066007) is 2-(2-bromoethylamino)-N-propylbenzamide.
What is the SMILES notation for 2-(2-bromoethylamino)-N-propylbenzamide?
The canonical SMILES for 2-(2-bromoethylamino)-N-propylbenzamide is CCCNC(=O)c1ccccc1NCCBr.
What is the InChIKey of 2-(2-bromoethylamino)-N-propylbenzamide?
The InChIKey is AQZLXNAPURXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-8-15-12(16)10-5-3-4-6-11(10)14-9-7-13/h3-6,14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(2-bromoethylamino)-N-propylbenzamide?
2-(2-bromoethylamino)-N-propylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylamino)-N-propylbenzamide is sourced from PubChem (CID 11066007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).