3-amino-4-bromo-N-methyl-N-pentylbenzamide

C13H19BrN2O — CID 61093599

IUPAC3-amino-4-bromo-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-8-16(2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8,15H2,1-2H3
InChIKeyZMORVCPYJSGPDT-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-4-bromo-N-methyl-N-pentylbenzamide

3-amino-4-bromo-N-methyl-N-pentylbenzamide (PubChem CID 61093599) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-4-bromo-N-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-methyl-N-pentylbenzamide
PubChem CID61093599
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-4-bromo-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-8-16(2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8,15H2,1-2H3
InChIKeyZMORVCPYJSGPDT-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 55227519
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
2-bromo-5-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370836
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
CID 175536796
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
1-(3-amino-4-bromophenyl)butan-1-one
CID 130156193
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-methyl-N-pentylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-methyl-N-pentylbenzamide (CID 61093599) is 3-amino-4-bromo-N-methyl-N-pentylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-methyl-N-pentylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-methyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-methyl-N-pentylbenzamide?
The InChIKey is ZMORVCPYJSGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-5-8-16(2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8,15H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-methyl-N-pentylbenzamide?
3-amino-4-bromo-N-methyl-N-pentylbenzamide has a molecular weight of 299.21 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-methyl-N-pentylbenzamide is sourced from PubChem (CID 61093599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).