N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide

C13H19BrN2O — CID 28576518

IUPACN-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
SMILESCC(C)CCNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(2)6-7-15-9-13(17)16-12-5-3-4-11(14)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyZVRZQFDAINZSTH-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.02
Rot. Bonds6

About N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide

N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide (PubChem CID 28576518) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
PubChem CID28576518
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
SMILESCC(C)CCNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(2)6-7-15-9-13(17)16-12-5-3-4-11(14)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyZVRZQFDAINZSTH-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide (CID 28576518) is N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide is CC(C)CCNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide?
The InChIKey is ZVRZQFDAINZSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(2)6-7-15-9-13(17)16-12-5-3-4-11(14)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide?
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide is sourced from PubChem (CID 28576518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).