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

C15H23BrN2O — CID 106021624

IUPAC5-amino-2-bromo-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-10-11(17)8-9-14(13)16/h8-10,12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyAKUORVDTSQUGBJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.12
Rot. Bonds7

About 5-amino-2-bromo-N-octan-4-ylbenzamide

5-amino-2-bromo-N-octan-4-ylbenzamide (PubChem CID 106021624) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-amino-2-bromo-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-octan-4-ylbenzamide
PubChem CID106021624
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name5-amino-2-bromo-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-10-11(17)8-9-14(13)16/h8-10,12H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyAKUORVDTSQUGBJ-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

5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
CID 106021614

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-octan-4-ylbenzamide?
The IUPAC name of 5-amino-2-bromo-N-octan-4-ylbenzamide (CID 106021624) is 5-amino-2-bromo-N-octan-4-ylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-octan-4-ylbenzamide?
The canonical SMILES for 5-amino-2-bromo-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-octan-4-ylbenzamide?
The InChIKey is AKUORVDTSQUGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-5-7-12(6-4-2)18-15(19)13-10-11(17)8-9-14(13)16/h8-10,12H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-bromo-N-octan-4-ylbenzamide?
5-amino-2-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 5-amino-2-bromo-N-octan-4-ylbenzamide is sourced from PubChem (CID 106021624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).