2-amino-4-bromo-N-octan-4-ylbenzamide

C15H23BrN2O — CID 102978718

IUPAC2-amino-4-bromo-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyIJYNLXOBSPMONJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.12
Rot. Bonds7

About 2-amino-4-bromo-N-octan-4-ylbenzamide

2-amino-4-bromo-N-octan-4-ylbenzamide (PubChem CID 102978718) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-amino-4-bromo-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-octan-4-ylbenzamide
PubChem CID102978718
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-amino-4-bromo-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyIJYNLXOBSPMONJ-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
CID 79721645
2-chloro-N-octan-4-yl-5-sulfanylbenzamide
CID 106023995

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-octan-4-ylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-octan-4-ylbenzamide (CID 102978718) is 2-amino-4-bromo-N-octan-4-ylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-octan-4-ylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-octan-4-ylbenzamide?
The InChIKey is IJYNLXOBSPMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-9-8-11(16)10-14(13)17/h8-10,12H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-octan-4-ylbenzamide?
2-amino-4-bromo-N-octan-4-ylbenzamide has a molecular weight of 327.27 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-octan-4-ylbenzamide is sourced from PubChem (CID 102978718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).