N-(3-bromophenyl)-3-(butylamino)propanamide

C13H19BrN2O — CID 109012514

IUPACN-(3-bromophenyl)-3-(butylamino)propanamide
SMILESCCCCNCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-3-8-15-9-7-13(17)16-12-6-4-5-11(14)10-12/h4-6,10,15H,2-3,7-9H2,1H3,(H,16,17)
InChIKeyKJTZMPSJLGILIN-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.17
Rot. Bonds7

About N-(3-bromophenyl)-3-(butylamino)propanamide

N-(3-bromophenyl)-3-(butylamino)propanamide (PubChem CID 109012514) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(butylamino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(butylamino)propanamide
PubChem CID109012514
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(3-bromophenyl)-3-(butylamino)propanamide
SMILESCCCCNCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-3-8-15-9-7-13(17)16-12-6-4-5-11(14)10-12/h4-6,10,15H,2-3,7-9H2,1H3,(H,16,17)
InChIKeyKJTZMPSJLGILIN-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.17
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

N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-acetylphenyl)-3-(pentylamino)propanamide
CID 109032280
methyl 3-[3-(pentylamino)propanoylamino]benzoate
CID 109032285
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(butylamino)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(butylamino)propanamide (CID 109012514) is N-(3-bromophenyl)-3-(butylamino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(butylamino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(butylamino)propanamide is CCCCNCCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(butylamino)propanamide?
The InChIKey is KJTZMPSJLGILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-3-8-15-9-7-13(17)16-12-6-4-5-11(14)10-12/h4-6,10,15H,2-3,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-3-(butylamino)propanamide?
N-(3-bromophenyl)-3-(butylamino)propanamide has a molecular weight of 299.21 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(butylamino)propanamide is sourced from PubChem (CID 109012514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).